 Entering Gaussian System, Link 0=g16
 Input=10_L-serine_conformer04_STD_LCPBE_augccpVDZ.in
 Output=10_L-serine_conformer04_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/Gau-196620.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    196622.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Aug-2021 
 ******************************************
 %NoSave
 %NProc=8
 Will use up to    8 processors via shared memory.
 %Mem=42GB
 %chk=10_L-serine_conformer04_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight) 
 Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=036000000
 0,3/108=0360000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-1
 )
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=360000000,108=360000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=200,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Aug 16 21:15:26 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "10_L-serine_conformer04_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.251931000000     -0.663665000000      0.331107000000
  C                                                 0.190209000000      0.204684000000     -0.343882000000
  C                                                -1.219712000000     -0.345036000000     -0.068508000000
  O                                                -2.135841000000      0.604858000000      0.141712000000
  O                                                 2.566231000000     -0.222950000000      0.011296000000
  N                                                 0.254758000000      1.625934000000      0.010270000000
  O                                                -1.475770000000     -1.518722000000     -0.066506000000
  H                                                 0.319391000000      0.128518000000     -1.428362000000
  H                                                 1.154507000000     -0.574017000000      1.416069000000
  H                                                 1.091659000000     -1.710334000000      0.069937000000
  H                                                -1.642859000000      1.455867000000      0.091840000000
  H                                                 0.567016000000      1.739291000000      0.969467000000
  H                                                 0.922994000000      2.115293000000     -0.569730000000
  H                                                 2.832457000000     -0.617545000000     -0.825436000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     14 NQM=       14 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          16          16          14          16           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  15.9949146  14.0030740  15.9949146   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           2           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   5.6000000   4.5500000   5.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   8.0000000   7.0000000   8.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Mon Aug 16 21:15:26 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.251931   -0.663665    0.331107
      2          6           0        0.190209    0.204684   -0.343882
      3          6           0       -1.219712   -0.345036   -0.068508
      4          8           0       -2.135841    0.604858    0.141712
      5          8           0        2.566231   -0.222950    0.011296
      6          7           0        0.254758    1.625934    0.010270
      7          8           0       -1.475770   -1.518722   -0.066506
      8          1           0        0.319391    0.128518   -1.428362
      9          1           0        1.154507   -0.574017    1.416069
     10          1           0        1.091659   -1.710334    0.069937
     11          1           0       -1.642859    1.455867    0.091840
     12          1           0        0.567016    1.739291    0.969467
     13          1           0        0.922994    2.115293   -0.569730
     14          1           0        2.832457   -0.617545   -0.825436
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.528690   0.000000
     3  C    2.523933   1.538148   0.000000
     4  O    3.622433   2.409658   1.336332   0.000000
     5  O    1.422636   2.440185   3.788752   4.776165   0.000000
     6  N    2.517847   1.466132   2.462720   2.602852   2.959946
     7  O    2.886100   2.412996   1.201295   2.233526   4.245333
     8  H    2.143109   1.094800   2.107675   2.952998   2.691549
     9  H    1.093010   2.152597   2.809505   3.720231   2.022276
    10  H    1.090602   2.156653   2.688055   3.972659   2.095260
    11  H    3.595758   2.261736   1.856884   0.984751   4.532257
    12  H    2.578916   2.054723   2.934997   3.045908   2.960632
    13  H    2.939781   2.058739   3.300853   3.484829   2.916367
    14  H    1.959026   2.808813   4.131256   5.207075   0.962654
                    6          7          8          9         10
     6  N    0.000000
     7  O    3.590193   0.000000
     8  H    2.077521   2.791174   0.000000
     9  H    2.761450   3.163677   3.046598   0.000000
    10  H    3.440152   2.578182   2.494529   1.762736   0.000000
    11  H    1.906968   2.983483   2.814835   3.701252   4.183646
    12  H    1.015093   3.982570   2.899223   2.428167   3.603376
    13  H    1.011144   4.383306   2.246967   3.351027   3.882402
    14  H    3.517973   4.466421   2.689913   2.800313   2.241932
                   11         12         13         14
    11  H    0.000000
    12  H    2.394599   0.000000
    13  H    2.730590   1.623954   0.000000
    14  H    5.016860   3.729420   3.343626   0.000000
 Stoichiometry    C3H7NO3
 Framework group  C1[X(C3H7NO3)]
 Deg. of freedom    36
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.76D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.251931   -0.663665    0.331107
      2          6           0        0.190209    0.204684   -0.343882
      3          6           0       -1.219712   -0.345036   -0.068508
      4          8           0       -2.135841    0.604859    0.141712
      5          8           0        2.566231   -0.222951    0.011296
      6          7           0        0.254758    1.625934    0.010270
      7          8           0       -1.475770   -1.518722   -0.066506
      8          1           0        0.319391    0.128518   -1.428362
      9          1           0        1.154507   -0.574017    1.416069
     10          1           0        1.091659   -1.710334    0.069937
     11          1           0       -1.642859    1.455867    0.091840
     12          1           0        0.567016    1.739291    0.969467
     13          1           0        0.922995    2.115293   -0.569730
     14          1           0        2.832457   -0.617546   -0.825436
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           4.5840691           1.8388701           1.3785007
 Leave Link  202 at Mon Aug 16 21:15:26 2021, MaxMem=  5637144576 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     11     12     13     14
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       6
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4      5      7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  21 primitive shells out of 252 were deleted.
 There are   238 symmetry adapted cartesian basis functions of A   symmetry.
 There are   224 symmetry adapted basis functions of A   symmetry.
   224 basis functions,   413 primitive gaussians,   238 cartesian basis functions
    28 alpha electrons       28 beta electrons
       nuclear repulsion energy       321.8548095216 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.360000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.360000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   14 NActive=   14 NUniq=   14 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Mon Aug 16 21:15:28 2021, MaxMem=  5637144576 cpu:              10.1 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   224 RedAO= T EigKep=  2.20D-05  NBF=   224
 NBsUse=   224 1.00D-06 EigRej= -1.00D+00 NBFU=   224
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   238   238   238   238   238 MxSgAt=    14 MxSgA2=    14.
 Leave Link  302 at Mon Aug 16 21:15:28 2021, MaxMem=  5637144576 cpu:               1.7 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Aug 16 21:15:28 2021, MaxMem=  5637144576 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "10_L-serine_conformer04_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Aug 16 21:15:28 2021, MaxMem=  5637144576 cpu:               1.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5637027028 LenY=  5636969943
 Requested convergence on RMS density matrix=1.00D-08 within 200 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -397.920900196745    
 DIIS: error= 2.46D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -397.920900196745     IErMin= 1 ErrMin= 2.46D-03
 ErrMax= 2.46D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.08D-02 BMatP= 1.08D-02
 IDIUse=3 WtCom= 9.75D-01 WtEn= 2.46D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.441 Goal=   None    Shift=    0.000
 GapD=    0.441 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=6.34D-03 MaxDP=2.78D-01              OVMax= 1.84D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.29D-03    CP:  9.71D-01
 E= -397.930153061374     Delta-E=       -0.009252864629 Rises=F Damp=F
 DIIS: error= 1.46D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -397.930153061374     IErMin= 2 ErrMin= 1.46D-03
 ErrMax= 1.46D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.56D-03 BMatP= 1.08D-02
 IDIUse=3 WtCom= 9.85D-01 WtEn= 1.46D-02
 Coeff-Com:  0.153D+00 0.847D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.151D+00 0.849D+00
 Gap=     0.397 Goal=   None    Shift=    0.000
 RMSDP=1.01D-03 MaxDP=4.85D-02 DE=-9.25D-03 OVMax= 9.51D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  6.84D-04    CP:  9.66D-01  1.12D+00
 E= -397.930713161694     Delta-E=       -0.000560100319 Rises=F Damp=F
 DIIS: error= 1.18D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -397.930713161694     IErMin= 3 ErrMin= 1.18D-03
 ErrMax= 1.18D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.07D-03 BMatP= 1.56D-03
 IDIUse=3 WtCom= 9.88D-01 WtEn= 1.18D-02
 Coeff-Com: -0.462D-01 0.455D+00 0.591D+00
 Coeff-En:   0.000D+00 0.338D+00 0.662D+00
 Coeff:     -0.457D-01 0.453D+00 0.592D+00
 Gap=     0.394 Goal=   None    Shift=    0.000
 RMSDP=3.89D-04 MaxDP=1.94D-02 DE=-5.60D-04 OVMax= 4.97D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.33D-04    CP:  9.64D-01  1.17D+00  1.07D+00
 E= -397.931469167168     Delta-E=       -0.000756005474 Rises=F Damp=F
 DIIS: error= 1.26D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -397.931469167168     IErMin= 4 ErrMin= 1.26D-04
 ErrMax= 1.26D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.36D-05 BMatP= 1.07D-03
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.26D-03
 Coeff-Com: -0.144D-01 0.593D-01 0.127D+00 0.828D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.144D-01 0.593D-01 0.127D+00 0.828D+00
 Gap=     0.393 Goal=   None    Shift=    0.000
 RMSDP=1.24D-04 MaxDP=6.81D-03 DE=-7.56D-04 OVMax= 1.38D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.82D-05    CP:  9.63D-01  1.17D+00  1.20D+00  1.14D+00
 E= -397.931482010369     Delta-E=       -0.000012843201 Rises=F Damp=F
 DIIS: error= 8.43D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -397.931482010369     IErMin= 5 ErrMin= 8.43D-05
 ErrMax= 8.43D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.52D-06 BMatP= 1.36D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.153D-02-0.545D-01-0.448D-01 0.444D+00 0.654D+00
 Coeff:      0.153D-02-0.545D-01-0.448D-01 0.444D+00 0.654D+00
 Gap=     0.393 Goal=   None    Shift=    0.000
 RMSDP=5.14D-05 MaxDP=2.79D-03 DE=-1.28D-05 OVMax= 7.90D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.94D-05    CP:  9.63D-01  1.18D+00  1.25D+00  1.22D+00  1.08D+00
 E= -397.931487754367     Delta-E=       -0.000005743998 Rises=F Damp=F
 DIIS: error= 1.85D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -397.931487754367     IErMin= 6 ErrMin= 1.85D-05
 ErrMax= 1.85D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.52D-07 BMatP= 6.52D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.217D-02-0.260D-01-0.301D-01 0.826D-01 0.244D+00 0.727D+00
 Coeff:      0.217D-02-0.260D-01-0.301D-01 0.826D-01 0.244D+00 0.727D+00
 Gap=     0.394 Goal=   None    Shift=    0.000
 RMSDP=1.13D-05 MaxDP=5.04D-04 DE=-5.74D-06 OVMax= 1.85D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.00D-06    CP:  9.63D-01  1.18D+00  1.26D+00  1.24D+00  1.14D+00
                    CP:  1.16D+00
 E= -397.931488160573     Delta-E=       -0.000000406206 Rises=F Damp=F
 DIIS: error= 5.57D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -397.931488160573     IErMin= 7 ErrMin= 5.57D-06
 ErrMax= 5.57D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.64D-08 BMatP= 3.52D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.258D-03 0.108D-02-0.101D-02-0.386D-01-0.245D-01 0.173D+00
 Coeff-Com:  0.890D+00
 Coeff:      0.258D-03 0.108D-02-0.101D-02-0.386D-01-0.245D-01 0.173D+00
 Coeff:      0.890D+00
 Gap=     0.394 Goal=   None    Shift=    0.000
 RMSDP=3.28D-06 MaxDP=1.21D-04 DE=-4.06D-07 OVMax= 8.90D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.85D-06    CP:  9.63D-01  1.18D+00  1.26D+00  1.24D+00  1.17D+00
                    CP:  1.25D+00  1.10D+00
 E= -397.931488208253     Delta-E=       -0.000000047680 Rises=F Damp=F
 DIIS: error= 2.43D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -397.931488208253     IErMin= 8 ErrMin= 2.43D-06
 ErrMax= 2.43D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.51D-09 BMatP= 2.64D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.134D-03 0.290D-02 0.272D-02-0.207D-01-0.314D-01-0.148D-01
 Coeff-Com:  0.289D+00 0.772D+00
 Coeff:     -0.134D-03 0.290D-02 0.272D-02-0.207D-01-0.314D-01-0.148D-01
 Coeff:      0.289D+00 0.772D+00
 Gap=     0.394 Goal=   None    Shift=    0.000
 RMSDP=1.03D-06 MaxDP=3.86D-05 DE=-4.77D-08 OVMax= 2.87D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  6.82D-07    CP:  9.63D-01  1.18D+00  1.26D+00  1.24D+00  1.18D+00
                    CP:  1.28D+00  1.14D+00  1.17D+00
 E= -397.931488213470     Delta-E=       -0.000000005217 Rises=F Damp=F
 DIIS: error= 7.71D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -397.931488213470     IErMin= 9 ErrMin= 7.71D-07
 ErrMax= 7.71D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.54D-10 BMatP= 3.51D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.578D-04 0.658D-03 0.851D-03-0.159D-02-0.595D-02-0.258D-01
 Coeff-Com: -0.202D-01 0.218D+00 0.834D+00
 Coeff:     -0.578D-04 0.658D-03 0.851D-03-0.159D-02-0.595D-02-0.258D-01
 Coeff:     -0.202D-01 0.218D+00 0.834D+00
 Gap=     0.394 Goal=   None    Shift=    0.000
 RMSDP=4.21D-07 MaxDP=1.81D-05 DE=-5.22D-09 OVMax= 1.16D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.76D-07    CP:  9.63D-01  1.18D+00  1.26D+00  1.24D+00  1.18D+00
                    CP:  1.28D+00  1.16D+00  1.29D+00  1.12D+00
 E= -397.931488214112     Delta-E=       -0.000000000642 Rises=F Damp=F
 DIIS: error= 2.48D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -397.931488214112     IErMin=10 ErrMin= 2.48D-07
 ErrMax= 2.48D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.01D-11 BMatP= 3.54D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.409D-05-0.218D-03-0.153D-03 0.220D-02 0.280D-02-0.422D-02
 Coeff-Com: -0.366D-01-0.454D-01 0.157D+00 0.925D+00
 Coeff:      0.409D-05-0.218D-03-0.153D-03 0.220D-02 0.280D-02-0.422D-02
 Coeff:     -0.366D-01-0.454D-01 0.157D+00 0.925D+00
 Gap=     0.394 Goal=   None    Shift=    0.000
 RMSDP=1.56D-07 MaxDP=8.15D-06 DE=-6.42D-10 OVMax= 4.66D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  7.00D-08    CP:  9.63D-01  1.18D+00  1.26D+00  1.24D+00  1.18D+00
                    CP:  1.28D+00  1.16D+00  1.32D+00  1.22D+00  1.21D+00
 E= -397.931488214170     Delta-E=       -0.000000000058 Rises=F Damp=F
 DIIS: error= 6.98D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -397.931488214170     IErMin=11 ErrMin= 6.98D-08
 ErrMax= 6.98D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.79D-12 BMatP= 3.01D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.505D-05-0.113D-03-0.111D-03 0.794D-03 0.135D-02 0.648D-03
 Coeff-Com: -0.922D-02-0.307D-01-0.221D-01 0.260D+00 0.799D+00
 Coeff:      0.505D-05-0.113D-03-0.111D-03 0.794D-03 0.135D-02 0.648D-03
 Coeff:     -0.922D-02-0.307D-01-0.221D-01 0.260D+00 0.799D+00
 Gap=     0.394 Goal=   None    Shift=    0.000
 RMSDP=2.95D-08 MaxDP=1.16D-06 DE=-5.82D-11 OVMax= 1.36D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.97D-08    CP:  9.63D-01  1.18D+00  1.26D+00  1.24D+00  1.18D+00
                    CP:  1.28D+00  1.16D+00  1.32D+00  1.24D+00  1.28D+00
                    CP:  1.12D+00
 E= -397.931488214192     Delta-E=       -0.000000000022 Rises=F Damp=F
 DIIS: error= 2.46D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -397.931488214192     IErMin=12 ErrMin= 2.46D-08
 ErrMax= 2.46D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.74D-13 BMatP= 3.79D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.143D-05-0.640D-05-0.191D-04-0.767D-04 0.399D-04 0.840D-03
 Coeff-Com:  0.242D-02-0.284D-02-0.300D-01-0.548D-01 0.274D+00 0.811D+00
 Coeff:      0.143D-05-0.640D-05-0.191D-04-0.767D-04 0.399D-04 0.840D-03
 Coeff:      0.242D-02-0.284D-02-0.300D-01-0.548D-01 0.274D+00 0.811D+00
 Gap=     0.394 Goal=   None    Shift=    0.000
 RMSDP=1.23D-08 MaxDP=3.64D-07 DE=-2.21D-11 OVMax= 6.44D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  8.04D-09    CP:  9.63D-01  1.18D+00  1.26D+00  1.24D+00  1.18D+00
                    CP:  1.28D+00  1.16D+00  1.32D+00  1.23D+00  1.30D+00
                    CP:  1.21D+00  1.16D+00
 E= -397.931488214192     Delta-E=        0.000000000000 Rises=F Damp=F
 DIIS: error= 7.87D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -397.931488214192     IErMin=13 ErrMin= 7.87D-09
 ErrMax= 7.87D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.16D-14 BMatP= 6.74D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.860D-07 0.115D-04 0.658D-05-0.121D-03-0.142D-03 0.226D-03
 Coeff-Com:  0.191D-02 0.275D-02-0.774D-02-0.501D-01-0.556D-02 0.269D+00
 Coeff-Com:  0.790D+00
 Coeff:     -0.860D-07 0.115D-04 0.658D-05-0.121D-03-0.142D-03 0.226D-03
 Coeff:      0.191D-02 0.275D-02-0.774D-02-0.501D-01-0.556D-02 0.269D+00
 Coeff:      0.790D+00
 Gap=     0.394 Goal=   None    Shift=    0.000
 RMSDP=5.02D-09 MaxDP=1.78D-07 DE= 1.14D-13 OVMax= 2.51D-07

 SCF Done:  E(RLC-PBE+HF-PBE) =  -397.931488214     A.U. after   13 cycles
            NFock= 13  Conv=0.50D-08     -V/T= 2.0052
 KE= 3.958681356485D+02 PE=-1.578035412042D+03 EE= 4.623809786572D+02
 Leave Link  502 at Mon Aug 16 21:16:14 2021, MaxMem=  5637144576 cpu:             365.0 elap:              45.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   224
 NBasis=   224 NAE=    28 NBE=    28 NFC=     0 NFV=     0
 NROrb=    224 NOA=    28 NOB=    28 NVA=   196 NVB=   196

 **** Warning!!: The largest alpha MO coefficient is  0.54089480D+02

 Leave Link  801 at Mon Aug 16 21:16:14 2021, MaxMem=  5637144576 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4334 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          14
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 9.15D-14 8.33D-09 XBig12= 1.00D+00 3.15D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 9.15D-14 8.33D-09 XBig12= 2.00D-01 7.64D-02.
     11 vectors produced by pass  2 Test12= 9.15D-14 8.33D-09 XBig12= 2.80D-02 4.57D-02.
     11 vectors produced by pass  3 Test12= 9.15D-14 8.33D-09 XBig12= 2.05D-03 1.10D-02.
     11 vectors produced by pass  4 Test12= 9.15D-14 8.33D-09 XBig12= 1.10D-04 2.46D-03.
     11 vectors produced by pass  5 Test12= 9.15D-14 8.33D-09 XBig12= 3.61D-06 3.20D-04.
     11 vectors produced by pass  6 Test12= 9.15D-14 8.33D-09 XBig12= 1.44D-07 4.67D-05.
     11 vectors produced by pass  7 Test12= 9.15D-14 8.33D-09 XBig12= 3.87D-09 6.35D-06.
     11 vectors produced by pass  8 Test12= 9.15D-14 8.33D-09 XBig12= 7.79D-11 1.07D-06.
      7 vectors produced by pass  9 Test12= 9.15D-14 8.33D-09 XBig12= 1.19D-12 1.58D-07.
      3 vectors produced by pass 10 Test12= 9.15D-14 8.33D-09 XBig12= 1.80D-14 2.02D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   109 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.659477D+02
      2  0.941124D-01  0.645475D+02
      3 -0.165238D+01  0.353516D+00  0.485253D+02
 Isotropic polarizability for W=    0.088559       59.67 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.232222D+02 -0.266215D+01 -0.194230D+01
      2  -0.180998D+02  0.292547D+01  0.542682D+00
      3  -0.512238D+01 -0.263322D+00  0.139962D+01
      4   0.423051D+01 -0.112042D+02 -0.168947D+01
      5  -0.266044D+01 -0.402648D+01  0.287418D+02
      6  -0.135486D+01 -0.407321D+00  0.641189D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.701851D-01 -0.179352D+01 -0.156743D+01
      2   0.625599D-01 -0.576213D+00  0.130875D+02
      3   0.505594D+01  0.557555D+01  0.157682D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.233701D+01 -0.950003D+00 -0.667521D+01
      2   0.718136D+00 -0.334613D+00  0.338641D+02
      3   0.689266D+01 -0.689565D+01  0.267162D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.839480D-01  0.403756D+00 -0.844945D+00
      2   0.403756D+00  0.669666D+00 -0.129470D+01
      3  -0.844945D+00 -0.129470D+01  0.344707D+00
 OR G Eigenvalues:    -1.0027    -0.2181     2.1512  Iso=    -0.3101
 Eigenvectors:
   (1)   0.482926   0.460167   0.745002
   (2)   0.795571  -0.586031  -0.153731
   (3)   0.365853   0.666944  -0.649106
 w=    0.088559 a.u., Optical Rotation Beta=     -0.3101 au.
 Molar Mass =    105.0932 grams/mole, [Alpha] ( 5145.0 A) =     -149.64 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   25200 ScalPx= 5.72D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   25200 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.58D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.52D-14 2.78D-09 XBig12= 1.00D+00 3.22D-01.
     30 vectors produced by pass  1 Test12= 1.52D-14 2.78D-09 XBig12= 4.75D-02 5.78D-02.
     30 vectors produced by pass  2 Test12= 1.52D-14 2.78D-09 XBig12= 7.82D-04 3.60D-03.
     30 vectors produced by pass  3 Test12= 1.52D-14 2.78D-09 XBig12= 1.10D-05 4.34D-04.
     30 vectors produced by pass  4 Test12= 1.52D-14 2.78D-09 XBig12= 1.31D-07 4.17D-05.
     30 vectors produced by pass  5 Test12= 1.52D-14 2.78D-09 XBig12= 1.19D-09 3.90D-06.
     30 vectors produced by pass  6 Test12= 1.52D-14 2.78D-09 XBig12= 9.38D-12 2.83D-07.
     30 vectors produced by pass  7 Test12= 1.52D-14 2.78D-09 XBig12= 6.82D-14 2.58D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   240 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   25200 ScalPx= 2.02D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   25200 ScalPx= 2.02D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   25200 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.38D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.659477D+02  0.941124D-01 -0.165238D+01
      2   0.941124D-01  0.645475D+02  0.353516D+00
      3  -0.165238D+01  0.353516D+00  0.485253D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.701851D-01 -0.179352D+01 -0.156743D+01
      2   0.625599D-01 -0.576213D+00  0.130875D+02
      3   0.505594D+01  0.557555D+01  0.157682D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.232222D+02 -0.266215D+01 -0.194230D+01
      2  -0.180998D+02  0.292547D+01  0.542682D+00
      3  -0.512238D+01 -0.263322D+00  0.139962D+01
      4   0.423051D+01 -0.112042D+02 -0.168947D+01
      5  -0.266044D+01 -0.402648D+01  0.287418D+02
      6  -0.135486D+01 -0.407321D+00  0.641189D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.478667D+00 -0.171022D+01  0.783962D+00 -0.300753D+01  0.141062D+01
      2  -0.171022D+01  0.212148D+01 -0.213069D+00  0.141062D+01  0.419041D+01
      3   0.783962D+00 -0.213069D+00  0.142366D+01 -0.346249D+00  0.108703D+01
                 6             7             8             9            10 
      1  -0.346249D+00  0.179393D+01 -0.551779D+00  0.954354D+00  0.117622D+00
      2   0.108703D+01 -0.551779D+00  0.149831D+01  0.460489D-02  0.282462D+01
      3  -0.228805D+00  0.954354D+00  0.460489D-02 -0.703673D+01 -0.690256D+00
                11            12            13            14            15 
      1   0.282462D+01 -0.690256D+00  0.234808D+01 -0.286356D+00 -0.126755D-01
      2  -0.172171D+01  0.488640D+00 -0.286356D+00 -0.296658D+01 -0.619655D+00
      3   0.488640D+00 -0.594193D+00 -0.126755D-01 -0.619655D+00  0.694483D+00
                16            17            18            19            20 
      1  -0.824695D+00  0.968295D+00 -0.109312D+01 -0.179525D+01 -0.176393D+01
      2   0.968295D+00 -0.113980D+01  0.336183D+00 -0.176393D+01  0.161873D+01
      3  -0.109312D+01  0.336183D+00  0.673677D+01 -0.872814D-01  0.105948D+00
                21            22            23            24            25 
      1  -0.872814D-01  0.228333D+00  0.225160D+01  0.161868D+00 -0.719106D+00
      2   0.105948D+00  0.225160D+01  0.609691D+01  0.682473D-01  0.258865D+00
      3  -0.328208D+00  0.161868D+00  0.682473D-01  0.336578D+00 -0.127487D+00
                26            27            28            29            30 
      1   0.258865D+00 -0.127487D+00 -0.803981D+01  0.170233D+01  0.531320D+00
      2   0.489942D+00  0.236383D+00  0.170233D+01 -0.270806D+01 -0.200369D+00
      3   0.236383D+00 -0.413797D+00  0.531320D+00 -0.200369D+00 -0.110892D+01
                31            32            33            34            35 
      1  -0.160496D+01 -0.369521D+01  0.284894D-01  0.142127D+01 -0.192628D+00
      2  -0.369521D+01 -0.591409D+00  0.233969D+00 -0.192628D+00  0.206979D+00
      3   0.284894D-01  0.233969D+00  0.564429D+00 -0.176278D+01  0.127337D+01
                36            37            38            39            40 
      1  -0.176278D+01  0.702530D+01  0.582512D+00  0.107166D+01  0.275626D+01
      2   0.127337D+01  0.582512D+00  0.329163D+00 -0.355213D+00  0.687709D+00
      3   0.928770D+00  0.107166D+01 -0.355213D+00 -0.110194D+01 -0.620183D+00
                41            42            43            44            45 
      1   0.687709D+00 -0.620183D+00  0.251757D+01 -0.456283D+00 -0.601973D+00
      2   0.115426D+01  0.256111D+00 -0.456283D+00  0.896299D+00  0.121941D+01
      3   0.256111D+00  0.174177D+01 -0.601973D+00  0.121941D+01  0.393449D+01
                46            47            48            49            50 
      1  -0.210977D+01 -0.171603D+01  0.942938D+00 -0.936273D+00 -0.154869D+01
      2  -0.171603D+01 -0.177691D+01  0.135252D+00 -0.154869D+01  0.466541D+01
      3   0.942938D+00  0.135252D+00 -0.212928D+01  0.367518D+00  0.573748D+00
                51            52            53            54            55 
      1   0.367518D+00  0.111642D+01  0.403279D+00 -0.207315D+01 -0.203798D+01
      2   0.573748D+00  0.403279D+00  0.604371D+00 -0.863888D+00 -0.322640D+01
      3  -0.737599D+00 -0.207315D+01 -0.863888D+00 -0.360334D+01 -0.669971D-01
                56            57            58            59            60 
      1  -0.322640D+01 -0.669971D-01 -0.436218D+01 -0.262736D+01 -0.213832D-01
      2  -0.279288D+01 -0.235828D+00 -0.262736D+01 -0.131349D+02 -0.150508D+00
      3  -0.235828D+00 -0.312021D+00 -0.213832D-01 -0.150508D+00 -0.233884D+01
                61            62            63            64            65 
      1  -0.491301D-01 -0.512195D-01 -0.107851D+01  0.380394D+00 -0.497840D+00
      2  -0.512195D-01 -0.140516D-01 -0.318684D+01 -0.497840D+00  0.436919D+00
      3  -0.107851D+01 -0.318684D+01 -0.484077D-01 -0.109664D+01 -0.586369D-01
                66            67            68            69            70 
      1  -0.109664D+01 -0.109111D+01  0.344949D+00  0.133615D+00 -0.182637D+01
      2  -0.586369D-01  0.344949D+00  0.441294D+00 -0.105156D+01 -0.145849D+00
      3   0.101397D+01  0.133615D+00 -0.105156D+01 -0.519419D+00  0.865851D+00
                71            72            73            74            75 
      1  -0.145849D+00  0.865851D+00  0.317223D-01  0.239838D+00  0.924667D+00
      2  -0.151043D+01 -0.455767D-01  0.239838D+00 -0.302951D+00  0.825560D-01
      3  -0.455767D-01 -0.809711D+01  0.924667D+00  0.825560D-01 -0.661836D+00
                76            77            78            79            80 
      1   0.850833D+00 -0.129554D+00 -0.418541D-02  0.173171D+01 -0.206591D+00
      2  -0.129554D+00 -0.391276D+00  0.961484D+00 -0.206591D+00  0.140110D+01
      3  -0.418541D-02  0.961484D+00  0.619838D+00  0.121795D+00 -0.607069D+00
                81            82            83            84            85 
      1   0.121795D+00 -0.791660D+00 -0.838674D+00 -0.371752D+00 -0.156600D+01
      2  -0.607069D+00 -0.838674D+00 -0.415454D+00  0.681030D-01 -0.198370D-01
      3   0.817492D+01 -0.371752D+00  0.681030D-01 -0.208283D+00  0.142325D-01
                86            87            88            89            90 
      1  -0.198370D-01  0.142325D-01 -0.103396D+01  0.968078D-01 -0.986746D-01
      2  -0.784617D+01 -0.432897D+00  0.968078D-01 -0.123162D+01 -0.107847D+01
      3  -0.432897D+00 -0.115254D+01 -0.986746D-01 -0.107847D+01  0.458047D-01
                91            92            93            94            95 
      1   0.210757D+01  0.185367D+01 -0.256504D+00  0.445306D+01  0.222169D+00
      2   0.185367D+01  0.655983D+00  0.104752D+00  0.222169D+00  0.474981D+01
      3  -0.256504D+00  0.104752D+00 -0.337332D+00 -0.237493D+00  0.151366D+00
                96            97            98            99           100 
      1  -0.237493D+00 -0.413005D+00 -0.113128D+00 -0.577891D+00  0.427110D+00
      2   0.151366D+00 -0.113128D+00 -0.747902D-01  0.568007D+00  0.740691D+00
      3   0.902397D+00 -0.577891D+00  0.568007D+00  0.123499D+00  0.738009D+00
               101           102           103           104           105 
      1   0.740691D+00  0.738009D+00  0.685720D+00  0.400106D+00  0.432846D+00
      2   0.772992D+00  0.710778D+00  0.400106D+00  0.118816D+01  0.736638D+00
      3   0.710778D+00  0.123335D+01  0.432846D+00  0.736638D+00  0.818004D+00
               106           107           108           109           110 
      1   0.183457D+01  0.531279D+00  0.156505D+01  0.277001D+01  0.231217D+01
      2   0.531279D+00  0.245352D+01  0.185514D+01  0.231217D+01  0.303920D+01
      3   0.156505D+01  0.185514D+01  0.557927D+01 -0.107398D+01 -0.966701D+00
               111           112           113           114           115 
      1  -0.107398D+01  0.260195D+01  0.203859D+01 -0.792954D+00 -0.219457D+01
      2  -0.966701D+00  0.203859D+01  0.331843D+01 -0.949864D+00 -0.128399D+01
      3   0.141652D+01 -0.792954D+00 -0.949864D+00  0.112435D+01  0.133457D+01
               116           117           118           119           120 
      1  -0.128399D+01  0.133457D+01  0.239341D+01 -0.502728D+00 -0.134915D+01
      2  -0.214283D+01  0.143975D+01 -0.502728D+00  0.743512D+00  0.333786D+00
      3   0.143975D+01 -0.164818D+01 -0.134915D+01  0.333786D+00  0.169450D+01
               121           122           123           124           125 
      1  -0.135618D+01  0.951275D+00  0.896555D+00 -0.335463D+01  0.742940D+00
      2   0.951275D+00 -0.874310D+00 -0.864114D+00  0.742940D+00 -0.143700D+01
      3   0.896555D+00 -0.864114D+00 -0.182465D+01  0.257195D+01 -0.115100D+01
               126 
      1   0.257195D+01
      2  -0.115100D+01
      3  -0.467598D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.164280D+01  0.370726D+00  0.982082D+00 -0.149012D+01  0.682212D+01
      2   0.112796D+01 -0.469918D-01  0.634653D+00 -0.107688D+01  0.339802D+00
      3   0.153403D+01  0.167870D+01 -0.679754D+00  0.639538D+01 -0.731346D+01
                 6             7             8             9            10 
      1  -0.178551D+01  0.315086D+00  0.202493D+01 -0.557014D+01 -0.121563D+01
      2  -0.490069D+00 -0.331688D+01  0.653064D+00 -0.608155D+01  0.303147D+01
      3  -0.659255D+00 -0.193326D+01 -0.163925D+01 -0.543831D+00  0.171912D+01
                11            12            13            14            15 
      1   0.525794D+00 -0.739042D+00  0.618832D+00  0.805021D-01 -0.513765D+00
      2  -0.888905D+00  0.330913D+01  0.160683D+01 -0.166810D+01  0.105684D+01
      3  -0.567537D+01  0.622826D+00 -0.114220D+01  0.954525D+00  0.737678D+00
                16            17            18            19            20 
      1  -0.123030D+01  0.443359D+01  0.143327D+00  0.714657D+00  0.983037D+00
      2  -0.296584D+01  0.182381D+00  0.896423D+00 -0.516734D+01  0.800005D-01
      3  -0.263138D+00  0.857294D+00  0.655819D+00 -0.564221D+01 -0.173543D+00
                21            22            23            24            25 
      1   0.232671D+00  0.162644D+01 -0.310074D+00  0.914791D+01 -0.216729D+00
      2  -0.536413D+01 -0.601041D+00  0.125282D+01 -0.171430D+01 -0.175397D+02
      3  -0.223985D+00 -0.522613D+00  0.941401D+01 -0.148463D+01  0.185042D+01
                26            27            28            29            30 
      1   0.970175D+01  0.627734D+00 -0.916854D+00 -0.948548D+00  0.286278D+01
      2  -0.160935D+01  0.369572D+01  0.546691D+00  0.281649D+00  0.775777D+01
      3  -0.209206D+01  0.954284D+00 -0.551170D+01 -0.147924D+02  0.156391D+00
                31            32            33            34            35 
      1  -0.519055D+00 -0.740384D+00 -0.403212D+01  0.764321D+00  0.210450D+01
      2   0.745851D+00 -0.215784D+00 -0.884278D+00  0.498402D+01 -0.963997D+00
      3  -0.104556D+02 -0.803891D+01  0.504118D+00  0.401058D+00  0.207347D+01
                36            37            38            39            40 
      1  -0.688112D+00 -0.255510D+00 -0.218216D+00  0.313502D+00  0.145854D+01
      2  -0.257175D+01  0.174737D+01 -0.163783D+01  0.271339D+01 -0.151578D+01
      3   0.180441D+01 -0.656305D+01 -0.784910D+01  0.176601D+01  0.761835D+00
                41            42            43            44            45 
      1  -0.936885D+00 -0.246950D+01  0.185807D+01  0.145840D+01  0.980354D+00
      2   0.113734D+01  0.569081D+01 -0.685047D+01  0.356579D+01  0.116640D+02
      3  -0.532181D+01 -0.188416D+01  0.154868D+01 -0.282775D+01 -0.443928D+01
                46            47            48            49            50 
      1  -0.207914D+01 -0.112042D+01  0.515579D+01 -0.198309D+01 -0.343289D+01
      2  -0.253176D-01  0.149970D+01  0.354510D+01  0.626734D+00  0.778552D+00
      3  -0.508966D+01 -0.104453D+02  0.118980D+01  0.245295D+01 -0.186414D+01
                51            52            53            54            55 
      1  -0.271643D+01  0.556651D+01  0.689821D+01  0.690126D+01  0.274348D+00
      2  -0.787440D+00 -0.342556D+01 -0.811931D+00  0.277930D+00  0.334782D+00
      3   0.615608D+00  0.268944D+01  0.112019D+01 -0.476874D+01 -0.178803D+00
                56            57            58            59            60 
      1   0.139759D+00 -0.287289D+01  0.339844D-01  0.102909D+01 -0.108302D+02
      2   0.209824D+00  0.469267D+01 -0.129720D+01 -0.519538D+00  0.441025D+01
      3  -0.492273D+01 -0.272044D+00  0.101075D+02 -0.181719D+02  0.181981D+00
                61            62            63            64            65 
      1  -0.416033D+00  0.893990D+00  0.167906D+00  0.300319D+00 -0.794441D+00
      2   0.231940D+01  0.447583D+01 -0.953029D+00  0.464592D+00 -0.547764D-01
      3  -0.112394D+01  0.308715D+00 -0.440940D+01  0.239897D+00 -0.741242D+00
                66            67            68            69            70 
      1   0.232289D+00 -0.504958D+00 -0.485600D+00 -0.339709D+00  0.158486D+00
      2   0.859354D+00 -0.308191D+00  0.363785D+00 -0.599462D+00 -0.262438D+01
      3  -0.195475D+00  0.133675D+01 -0.254068D+00  0.207512D+00 -0.820042D-01
                71            72            73            74            75 
      1   0.310402D+01  0.911116D+00  0.968957D+00 -0.530274D+00 -0.214626D+00
      2  -0.158552D+00 -0.126753D+01  0.129471D+01  0.148370D-01 -0.175884D-01
      3   0.415942D+00  0.299575D+00 -0.793795D-01 -0.672306D+00 -0.807196D+00
                76            77            78            79            80 
      1  -0.254071D+00  0.502466D+00 -0.403156D-01 -0.310749D-03  0.316186D+01
      2  -0.466984D+00  0.141487D+01  0.648571D+00 -0.376319D+01 -0.504235D+00
      3   0.224061D+00  0.457299D+00 -0.105917D+01 -0.113326D+01 -0.142526D+01
                81            82            83            84            85 
      1   0.654143D+01 -0.113213D+01 -0.206611D-01 -0.355737D+00 -0.614335D-01
      2   0.922960D+01 -0.146792D+00  0.327221D+00  0.514725D+00  0.294310D+00
      3   0.633111D+00  0.344707D+01  0.114587D+01  0.588990D+00  0.524140D+01
                86            87            88            89            90 
      1  -0.412569D+01 -0.387517D+01  0.351492D-02 -0.991474D+00 -0.613838D+00
      2   0.237081D+00 -0.101631D+01 -0.820032D+00 -0.948445D+00  0.622556D-01
      3   0.953473D+01  0.485816D+00  0.174774D+01  0.136775D+01  0.112953D+01
                91            92            93            94            95 
      1   0.904040D+00  0.703991D+00  0.953568D+00  0.693965D+00  0.105601D+01
      2  -0.589551D+00 -0.580226D+00 -0.145598D+01 -0.324363D+00 -0.659892D+00
      3   0.793694D+01  0.920323D+01 -0.289413D+00  0.119459D+02  0.153259D+02
                96            97            98            99           100 
      1  -0.112060D+01  0.849156D+00  0.111109D+01  0.113778D+00 -0.138452D+01
      2  -0.225687D+01 -0.200094D+01 -0.170365D+01  0.118911D+00 -0.541827D+00
      3   0.152985D+00 -0.741200D+00 -0.102791D+01 -0.917949D-01  0.884075D+00
               101           102           103           104           105 
      1  -0.679210D+00 -0.301613D+01 -0.589512D+00 -0.180878D+01 -0.224514D+01
      2   0.199595D+00  0.526594D+00  0.662588D-01 -0.119044D+00  0.429838D+00
      3   0.701909D+00  0.984020D+00  0.180323D+01  0.608465D+00  0.708119D+00
               106           107           108           109           110 
      1  -0.393972D+01 -0.185416D+01 -0.116219D+02  0.224496D+01  0.190831D+01
      2  -0.195426D+01  0.629477D+00  0.846347D+00  0.759807D+00 -0.285791D+00
      3   0.379572D+01  0.418157D-01  0.315779D+01  0.630150D+01  0.255502D+01
               111           112           113           114           115 
      1  -0.369854D+01  0.183444D+01  0.182622D+01 -0.265492D+01 -0.295286D+01
      2   0.987649D+00 -0.236424D-01  0.468051D-01  0.763726D+00 -0.851766D+00
      3  -0.207857D+01  0.598417D+01  0.275520D+01 -0.161880D+01 -0.522635D+01
               116           117           118           119           120 
      1  -0.166795D+01  0.305393D+01 -0.662886D-01 -0.319844D+00  0.164285D+00
      2   0.396728D+00 -0.798450D+00 -0.366265D+01  0.105847D+01  0.555914D+01
      3  -0.169988D+01  0.245311D+01  0.955166D+00 -0.228676D+01 -0.938320D+00
               121           122           123           124           125 
      1  -0.378985D-01  0.347126D+00 -0.787014D+00 -0.712193D+00  0.189524D+01
      2   0.227411D+01 -0.238869D+01 -0.525131D+01  0.583532D+01 -0.325022D+01
      3  -0.115841D+01  0.196126D+01  0.228614D+01 -0.152991D+01  0.452694D+01
               126 
      1  -0.770123D+00
      2  -0.142928D+02
      3   0.316542D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.182761D+02 -0.232990D+00 -0.148707D+01 -0.819073D+01  0.125423D+02
      2   0.851910D+01 -0.207136D+01 -0.199356D+01  0.364041D+01 -0.166212D+02
      3   0.975696D+01  0.230435D+01  0.348063D+01  0.455032D+01  0.407890D+01
      4  -0.163528D+01 -0.124931D+01 -0.157933D+00  0.787119D+01  0.635904D+01
      5   0.139808D+01 -0.324050D+00 -0.263556D+01 -0.108653D+01  0.203327D+01
      6  -0.379179D+01  0.341091D+01 -0.209009D+01  0.120879D+01 -0.362858D+01
                 6             7             8             9            10 
      1   0.941757D+00  0.622511D+01  0.875836D+00  0.132551D+02 -0.367810D+01
      2  -0.175830D+01 -0.329724D+01 -0.171070D+01  0.305624D+01  0.606471D+01
      3   0.816548D+00 -0.292787D+01  0.834861D+00 -0.163114D+02 -0.238661D+01
      4   0.215674D+01 -0.244969D+01  0.389066D+01 -0.150575D+01  0.610710D+00
      5  -0.131089D+01  0.360541D+01 -0.147261D+00 -0.139736D+02 -0.685222D-01
      6   0.198246D+01 -0.107331D+01  0.398583D+00  0.475674D+01  0.165806D+01
                11            12            13            14            15 
      1   0.183925D+01 -0.111884D+01  0.959769D+00  0.338679D+01  0.108391D+01
      2  -0.165970D+01 -0.206473D+00 -0.112220D+00 -0.766725D+01 -0.353683D+00
      3  -0.179555D+00  0.132531D+01 -0.847549D+00  0.428046D+01 -0.730224D+00
      4   0.386517D+01  0.638472D+00 -0.673872D+01  0.889196D+00 -0.619361D+00
      5   0.558122D+00  0.169017D+01 -0.590624D+00 -0.788316D-01  0.139397D+01
      6  -0.198354D+01 -0.778449D-01 -0.228407D+01  0.219313D+00 -0.310233D+01
                16            17            18            19            20 
      1  -0.552201D+01  0.170365D+01  0.509571D+01 -0.523672D+01  0.982614D+01
      2   0.249683D+00 -0.378499D+01  0.104514D+02  0.354946D+00 -0.102854D+02
      3   0.527233D+01  0.208134D+01 -0.155471D+02  0.488178D+01  0.459306D+00
      4  -0.157830D+01 -0.805419D+00  0.124253D+01  0.362870D+01 -0.118905D+02
      5  -0.208782D+01 -0.202488D+00  0.803409D+01  0.159487D+00 -0.178175D+01
      6   0.632426D+00  0.973935D+00  0.711763D+00 -0.606687D+00  0.870085D-01
                21            22            23            24            25 
      1  -0.102704D+01  0.180371D+01  0.692292D+01  0.183990D+00  0.671950D+00
      2  -0.234953D+01 -0.514882D+01 -0.184566D+02  0.945541D+00 -0.134613D+01
      3   0.337656D+01  0.334511D+01  0.115336D+02 -0.112953D+01  0.674179D+00
      4  -0.101406D+01 -0.231417D+02 -0.228279D+02 -0.645671D-01 -0.701782D+00
      5  -0.687996D+01 -0.222548D+01 -0.135918D+01 -0.126949D+01  0.223486D+01
      6   0.157492D+01 -0.707596D+00 -0.161794D+01 -0.139480D+02 -0.504469D+00
                26            27            28            29            30 
      1  -0.240250D+01 -0.496748D+01  0.418508D+02 -0.796752D+01 -0.970535D+00
      2   0.117294D+01 -0.637140D+01 -0.256797D+02  0.207999D+01  0.191325D+01
      3   0.122957D+01  0.113389D+02 -0.161711D+02  0.588753D+01 -0.942715D+00
      4   0.248261D+01 -0.235815D+01 -0.197452D+02  0.173923D+02  0.127220D+01
      5  -0.173850D+01  0.328140D+01 -0.245181D+01  0.573505D+00  0.145647D+02
      6   0.369311D+01 -0.585605D+00  0.836940D+00 -0.400536D+00 -0.486838D+01
                31            32            33            34            35 
      1   0.463421D+01  0.936357D+01 -0.106812D+01 -0.894575D+00  0.488017D+00
      2  -0.635676D+01 -0.250653D+01  0.303365D+00  0.168979D+01  0.132963D+00
      3   0.172255D+01 -0.685704D+01  0.764758D+00 -0.795212D+00 -0.620980D+00
      4   0.168084D+02 -0.536215D+01 -0.133939D+01  0.157588D+01 -0.174802D+01
      5  -0.515991D+00 -0.140473D+01 -0.347367D+01  0.136817D+02 -0.579216D+01
      6  -0.718041D+00  0.101182D+01  0.830219D+01 -0.195930D+01  0.539622D+01
                36            37            38            39            40 
      1   0.516353D+01  0.466440D+02  0.367939D+01  0.610958D+01  0.151399D+02
      2  -0.802402D+01 -0.239821D+02 -0.215923D+01 -0.267782D+01 -0.934828D+01
      3   0.286049D+01 -0.226619D+02 -0.152015D+01 -0.343177D+01 -0.579164D+01
      4  -0.545256D+01  0.370402D+00  0.119528D+02 -0.372474D+01  0.704515D+01
      5  -0.487544D+01  0.655967D+01 -0.277223D+01  0.445808D+01 -0.383125D+01
      6   0.137738D+01 -0.115605D+01 -0.467443D+00  0.105320D+01  0.165733D+01
                41            42            43            44            45 
      1   0.206646D+01 -0.228872D+01  0.881124D+01 -0.167085D+01 -0.392797D+01
      2   0.347274D+01  0.194701D+01 -0.692677D+01  0.120293D+01  0.411389D+00
      3  -0.553920D+01  0.341715D+00 -0.188447D+01  0.467921D+00  0.351658D+01
      4   0.603890D+01  0.301667D+01 -0.487135D+01  0.461859D+01  0.751049D+01
      5   0.314035D+01  0.974610D+01  0.578968D-01  0.709829D+01  0.205536D+02
      6  -0.147455D+01  0.133048D+01  0.165210D+01  0.217655D+01 -0.489670D+01
                46            47            48            49            50 
      1   0.128582D+02  0.168821D+01  0.988903D+00  0.168934D+01 -0.165915D+02
      2  -0.114876D+02 -0.530761D+01  0.183677D+01 -0.524468D+01  0.264980D+02
      3  -0.137058D+01  0.361940D+01 -0.282568D+01  0.355534D+01 -0.990648D+01
      4  -0.765952D+01 -0.529274D+01  0.283848D+01  0.106271D+01 -0.556439D+01
      5   0.162714D+01  0.155438D+01  0.590395D+00  0.105040D+01  0.688170D+00
      6   0.427846D+01  0.302959D+01 -0.896558D+01  0.311310D+01  0.415647D+01
                51            52            53            54            55 
      1  -0.567299D+00 -0.841928D+00  0.396771D+00  0.120902D+00  0.104932D+02
      2   0.328223D+01  0.325929D+01  0.393336D+01 -0.900146D+00 -0.131100D+01
      3  -0.271493D+01 -0.241736D+01 -0.433013D+01  0.779245D+00 -0.918222D+01
      4   0.149757D+01  0.376867D+01  0.209283D+01 -0.908218D+01  0.171605D+02
      5  -0.215520D+01  0.112274D+01 -0.360979D+01 -0.325471D+01  0.134137D+01
      6   0.241273D+01 -0.100623D+02 -0.138050D+01 -0.107830D+02  0.707664D+00
                56            57            58            59            60 
      1   0.520337D+01 -0.174749D+00  0.773709D+01 -0.218869D+02 -0.764098D+00
      2   0.315243D+01  0.517349D+00  0.295692D+01  0.423097D+02  0.260830D-01
      3  -0.835580D+01 -0.342600D+00 -0.106940D+02 -0.204228D+02  0.738015D+00
      4   0.221319D+02  0.826533D+00  0.251606D+02  0.461887D+02  0.118622D+01
      5   0.137462D+01  0.726347D+01  0.133237D+01  0.259731D+01  0.870213D+01
      6   0.756342D+00  0.385821D+01  0.120610D+01  0.167349D+01  0.170719D+02
                61            62            63            64            65 
      1   0.569088D+00 -0.111547D+00 -0.393523D+01  0.116139D+01  0.406605D-01
      2   0.446208D+00 -0.454507D+00  0.286159D+01 -0.388640D+01  0.214084D-01
      3  -0.101530D+01  0.566054D+00  0.107364D+01  0.272501D+01 -0.620689D-01
      4   0.193632D+00 -0.268592D+00  0.110576D+02 -0.274749D+00  0.138572D+01
      5   0.887250D+01  0.111735D+02  0.302028D+00 -0.218257D+01 -0.107337D+00
      6   0.387785D+01  0.141282D+02  0.551443D+00 -0.308214D+00  0.278828D+00
                66            67            68            69            70 
      1  -0.205253D+00 -0.252971D+00 -0.370491D+01 -0.554228D+00  0.103305D+01
      2   0.173265D+01  0.108579D+01  0.539315D+00 -0.105547D+01  0.260045D+01
      3  -0.152740D+01 -0.832818D+00  0.316559D+01  0.160969D+01 -0.363350D+01
      4  -0.381716D+00  0.277044D+01 -0.363910D+00 -0.625075D+00  0.702678D+00
      5   0.662151D+01  0.571890D+00 -0.863304D+00 -0.105662D+01  0.589705D+01
      6   0.219154D+00 -0.262304D+00  0.678203D+00  0.625519D+01 -0.785865D-01
                71            72            73            74            75 
      1   0.778163D+00 -0.160130D+02  0.836336D+00  0.512510D+00  0.396392D+01
      2  -0.896169D+00 -0.154899D+02 -0.330385D+01 -0.155547D+00 -0.752474D+00
      3   0.118006D+00  0.315029D+02  0.246751D+01 -0.356964D+00 -0.321145D+01
      4  -0.525279D+00 -0.688673D+00  0.576992D+00  0.613678D+00 -0.112697D+01
      5   0.243964D-01 -0.690342D+01  0.158116D+01 -0.207009D+00  0.468086D+01
      6   0.452668D+01 -0.175577D+01 -0.762901D+00 -0.714227D+00  0.493478D+00
                76            77            78            79            80 
      1   0.199920D+01 -0.421408D+01  0.235840D-01  0.526883D+01  0.159068D+01
      2  -0.140860D+01  0.195806D+01 -0.134668D+01 -0.269388D+01 -0.802084D+00
      3  -0.590606D+00  0.225602D+01  0.132309D+01 -0.257495D+01 -0.788598D+00
      4   0.292789D+00 -0.514780D+00  0.242145D+01 -0.205937D+01  0.281187D+01
      5  -0.585000D-01  0.217548D+01  0.154055D+01  0.501216D+01 -0.140060D+01
      6   0.175487D+00 -0.450597D+00  0.478542D+01 -0.187992D+00  0.582017D+01
                81            82            83            84            85 
      1  -0.181741D+02 -0.670196D+00 -0.388064D+01 -0.800542D+00 -0.503419D+01
      2  -0.116124D+02  0.308114D+01  0.281422D+01  0.725509D+00  0.302595D+01
      3   0.297865D+02 -0.241094D+01  0.106642D+01  0.750327D-01  0.200825D+01
      4  -0.217068D-01 -0.128824D+01  0.369616D+01  0.549661D+00  0.521461D+01
      5   0.179334D+02 -0.644158D+00 -0.501494D-01  0.730745D+00 -0.169518D+00
      6  -0.939398D+01  0.695802D+00 -0.283328D+00  0.546834D+00  0.885989D-01
                86            87            88            89            90 
      1  -0.178160D+02 -0.356244D+00 -0.247991D+01 -0.227207D+01 -0.448743D+01
      2   0.300308D+02  0.196359D+01  0.151119D+01  0.380098D+01  0.241979D+01
      3  -0.122148D+02 -0.160735D+01  0.968722D+00 -0.152890D+01  0.206764D+01
      4  -0.167398D+02 -0.899001D+00  0.949043D+00 -0.295964D+01 -0.190999D+01
      5  -0.800148D+00 -0.238318D+01  0.690376D+00 -0.239125D+01  0.532181D-01
      6   0.966987D-01  0.530086D+01  0.267048D+00  0.555285D+01  0.140509D+01
                91            92            93            94            95 
      1  -0.113979D+02 -0.236594D+01  0.165734D+00 -0.131187D+02 -0.635789D+01
      2   0.976019D+01 -0.309532D+00 -0.187519D+00  0.727411D+01  0.101223D+02
      3   0.163773D+01  0.267547D+01  0.217848D-01  0.584458D+01 -0.376436D+01
      4  -0.880920D+00 -0.987504D-01 -0.495934D+00  0.713554D+01 -0.156447D+02
      5   0.100151D+01  0.296739D+00 -0.172622D+01  0.113587D+01  0.172278D+00
      6  -0.500680D+00 -0.396432D-01 -0.206465D+01 -0.279488D+00  0.486724D+00
                96            97            98            99           100 
      1   0.315239D+00  0.117276D+01  0.502671D-01 -0.103796D+01 -0.486314D+00
      2  -0.302604D+00 -0.810150D+00 -0.151112D+00  0.236216D+00  0.785664D+00
      3  -0.126348D-01 -0.362612D+00  0.100845D+00  0.801743D+00 -0.299350D+00
      4  -0.619853D+00 -0.297660D+00  0.793442D-01 -0.237729D+01  0.241600D+01
      5  -0.400392D+01  0.228339D+01 -0.218258D+01  0.217166D-01  0.237975D+01
      6   0.165306D+01 -0.138845D+01  0.257001D+01  0.128065D+00  0.258290D+01
               101           102           103           104           105 
      1  -0.122384D+01 -0.842424D+00 -0.132352D-01 -0.320268D+01 -0.169277D+01
      2   0.229360D+01  0.415891D+00  0.744096D+00  0.403957D+01  0.238228D+01
      3  -0.106976D+01  0.426533D+00 -0.730861D+00 -0.836888D+00 -0.689510D+00
      4   0.442805D+01  0.279159D+01  0.399792D+01  0.255243D+01  0.235132D+01
      5   0.152149D+01  0.389919D+01  0.706931D+00  0.154395D+01  0.140043D+01
      6   0.308542D+01  0.528820D+01  0.239732D+01  0.323452D+01  0.608958D+01
               106           107           108           109           110 
      1   0.874856D-01 -0.551831D+01 -0.761823D+01  0.621601D+00 -0.375989D+01
      2  -0.103121D+01  0.503583D+01 -0.200990D+01  0.483498D+01  0.990034D+01
      3   0.943725D+00  0.482474D+00  0.962812D+01 -0.545658D+01 -0.614045D+01
      4   0.540639D+01  0.453872D+01  0.582241D+01  0.117642D+02  0.129765D+02
      5   0.404067D+01  0.296126D+01  0.704836D+01 -0.371548D+01 -0.300477D+01
      6   0.621206D+01  0.894287D+01  0.202149D+02 -0.596808D+01 -0.610303D+01
               111           112           113           114           115 
      1   0.506941D+00 -0.185561D+01 -0.572586D+01  0.159813D+01  0.125586D+01
      2  -0.259526D+01  0.655638D+01  0.128036D+02 -0.400692D+01 -0.276417D+01
      3   0.208831D+01 -0.470077D+01 -0.707772D+01  0.240879D+01  0.150830D+01
      4  -0.509615D+01  0.115151D+02  0.102756D+02 -0.414447D+01 -0.756222D+01
      5   0.415702D+01 -0.146220D+01 -0.265308D+01  0.172695D+01  0.406879D+01
      6   0.658578D+01 -0.480767D+01 -0.644187D+01  0.585105D+01  0.656993D+01
               116           117           118           119           120 
      1   0.366478D+01 -0.313958D+01  0.132100D+02 -0.323323D+01 -0.731181D+01
      2  -0.595919D+01  0.235171D+01 -0.771511D+01  0.162369D+01  0.472279D+01
      3   0.229441D+01  0.787867D+00 -0.549485D+01  0.160954D+01  0.258902D+01
      4  -0.644803D+01  0.606541D+01 -0.494940D+01  0.463662D+01  0.343408D+01
      5   0.329531D+01 -0.364431D+01 -0.863800D+01  0.272196D+01  0.111108D+02
      6   0.839039D+01 -0.747642D+01  0.233458D+01 -0.656350D+00 -0.155324D+01
               121           122           123           124           125 
      1  -0.556057D+01  0.218619D+01  0.290920D+01 -0.142554D+02  0.219144D+01
      2   0.246120D+01 -0.459222D+00 -0.155509D+01  0.102145D+02 -0.175592D+01
      3   0.309936D+01 -0.172697D+01 -0.135411D+01  0.404085D+01 -0.435523D+00
      4   0.695357D+01 -0.519209D+01 -0.597062D+01  0.692408D+01 -0.775964D+01
      5   0.514263D+01 -0.519154D+01 -0.885716D+01  0.164680D+02 -0.699401D+01
      6  -0.243993D+01  0.240983D+01  0.454064D+01 -0.386292D+01  0.335837D+01
               126 
      1   0.731549D+01
      2  -0.973070D+01
      3   0.241521D+01
      4  -0.830217D+01
      5  -0.262287D+02
      6   0.609966D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Mon Aug 16 21:25:02 2021, MaxMem=  5637144576 cpu:            4208.3 elap:             527.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -18.99174 -18.97511 -18.93917 -14.20388 -10.20775
 Alpha  occ. eigenvalues --  -10.13785 -10.13709  -1.22645  -1.16504  -1.14156
 Alpha  occ. eigenvalues --   -1.05161  -0.89002  -0.79453  -0.72597  -0.68350
 Alpha  occ. eigenvalues --   -0.65710  -0.63458  -0.60158  -0.58561  -0.56465
 Alpha  occ. eigenvalues --   -0.55434  -0.52405  -0.49311  -0.46372  -0.43373
 Alpha  occ. eigenvalues --   -0.42852  -0.41510  -0.37396
 Alpha virt. eigenvalues --    0.01961   0.03494   0.04249   0.05010   0.06355
 Alpha virt. eigenvalues --    0.06741   0.07295   0.08657   0.10266   0.10971
 Alpha virt. eigenvalues --    0.11817   0.12219   0.13411   0.14655   0.14825
 Alpha virt. eigenvalues --    0.14885   0.15481   0.15684   0.17266   0.18657
 Alpha virt. eigenvalues --    0.18791   0.19234   0.20482   0.20550   0.23993
 Alpha virt. eigenvalues --    0.24560   0.25302   0.25836   0.26703   0.27237
 Alpha virt. eigenvalues --    0.27628   0.29314   0.29563   0.30342   0.31016
 Alpha virt. eigenvalues --    0.31899   0.32456   0.32615   0.32879   0.34535
 Alpha virt. eigenvalues --    0.35723   0.37379   0.38183   0.38402   0.39351
 Alpha virt. eigenvalues --    0.40894   0.41424   0.42131   0.42776   0.44097
 Alpha virt. eigenvalues --    0.45411   0.47007   0.47690   0.48013   0.49803
 Alpha virt. eigenvalues --    0.50770   0.52368   0.53163   0.54108   0.55297
 Alpha virt. eigenvalues --    0.55927   0.56382   0.58113   0.58642   0.60405
 Alpha virt. eigenvalues --    0.61108   0.63228   0.63699   0.65187   0.66164
 Alpha virt. eigenvalues --    0.67062   0.68211   0.68746   0.70588   0.71111
 Alpha virt. eigenvalues --    0.72967   0.73760   0.75089   0.76962   0.78318
 Alpha virt. eigenvalues --    0.79847   0.80052   0.81317   0.82306   0.86057
 Alpha virt. eigenvalues --    0.86998   0.87666   0.89697   0.91180   0.93519
 Alpha virt. eigenvalues --    0.94602   0.96291   0.98782   0.99862   1.01612
 Alpha virt. eigenvalues --    1.03695   1.05897   1.07958   1.08694   1.11686
 Alpha virt. eigenvalues --    1.14381   1.15337   1.15911   1.16761   1.18007
 Alpha virt. eigenvalues --    1.18843   1.20900   1.23401   1.25014   1.27674
 Alpha virt. eigenvalues --    1.30476   1.33728   1.34945   1.35842   1.37988
 Alpha virt. eigenvalues --    1.40598   1.44532   1.45455   1.48153   1.52830
 Alpha virt. eigenvalues --    1.53802   1.57591   1.59676   1.62509   1.64075
 Alpha virt. eigenvalues --    1.65092   1.67273   1.68575   1.70655   1.75398
 Alpha virt. eigenvalues --    1.76024   1.79197   1.81917   1.83645   1.86302
 Alpha virt. eigenvalues --    1.89040   1.90654   1.92808   1.95613   1.98098
 Alpha virt. eigenvalues --    1.98477   1.99959   2.02320   2.05868   2.09487
 Alpha virt. eigenvalues --    2.11068   2.12775   2.16170   2.17379   2.22544
 Alpha virt. eigenvalues --    2.23358   2.24338   2.25943   2.28220   2.29882
 Alpha virt. eigenvalues --    2.31732   2.34975   2.37580   2.38749   2.41415
 Alpha virt. eigenvalues --    2.46262   2.50672   2.51766   2.58401   2.61201
 Alpha virt. eigenvalues --    2.64699   2.68320   2.70938   2.72788   2.76910
 Alpha virt. eigenvalues --    2.77775   2.84811   2.89416   2.92268   2.99486
 Alpha virt. eigenvalues --    3.08787   3.11369   3.20395   3.27988   3.36577
 Alpha virt. eigenvalues --    3.42695   3.44612   3.45869   3.48209   3.48360
 Alpha virt. eigenvalues --    3.51465   3.52257   3.54232   3.55596   3.57035
 Alpha virt. eigenvalues --    3.65359   3.67185   3.79230   3.88012   4.00448
 Alpha virt. eigenvalues --    4.04890
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.476930   0.399840  -0.124012  -0.015552   0.060104  -0.101463
     2  C    0.399840   6.047758  -0.700681   0.214661   0.098489   0.138127
     3  C   -0.124012  -0.700681   6.394827  -0.191585  -0.033888   0.004242
     4  O   -0.015552   0.214661  -0.191585   8.284988  -0.000211  -0.080387
     5  O    0.060104   0.098489  -0.033888  -0.000211   8.247393  -0.008574
     6  N   -0.101463   0.138127   0.004242  -0.080387  -0.008574   6.584546
     7  O    0.009761  -0.014384   0.282377  -0.084388  -0.002595  -0.010332
     8  H   -0.058109   0.088531  -0.154447   0.012493  -0.016955  -0.083057
     9  H    0.261409  -0.174029   0.015983  -0.006889  -0.198067  -0.095343
    10  H    0.004448   0.190414  -0.144998   0.007428   0.004291   0.029076
    11  H    0.005204  -0.138588  -0.009587   0.241690  -0.001646   0.063489
    12  H   -0.073048  -0.138908   0.040121  -0.004137  -0.002897   0.426070
    13  H    0.013896   0.027861  -0.019160   0.004164  -0.001949   0.304305
    14  H    0.021659  -0.049603   0.005940  -0.000156   0.272473  -0.004525
               7          8          9         10         11         12
     1  C    0.009761  -0.058109   0.261409   0.004448   0.005204  -0.073048
     2  C   -0.014384   0.088531  -0.174029   0.190414  -0.138588  -0.138908
     3  C    0.282377  -0.154447   0.015983  -0.144998  -0.009587   0.040121
     4  O   -0.084388   0.012493  -0.006889   0.007428   0.241690  -0.004137
     5  O   -0.002595  -0.016955  -0.198067   0.004291  -0.001646  -0.002897
     6  N   -0.010332  -0.083057  -0.095343   0.029076   0.063489   0.426070
     7  O    8.252475   0.012840   0.012608  -0.003356   0.014825   0.000700
     8  H    0.012840   1.409293   0.100930  -0.067854  -0.005843   0.025472
     9  H    0.012608   0.100930   1.669852  -0.352616  -0.001947   0.009134
    10  H   -0.003356  -0.067854  -0.352616   1.686056   0.000381   0.008892
    11  H    0.014825  -0.005843  -0.001947   0.000381   0.633221  -0.003696
    12  H    0.000700   0.025472   0.009134   0.008892  -0.003696   0.795770
    13  H    0.001236  -0.081247  -0.008087  -0.003363   0.000306  -0.125203
    14  H    0.000607   0.007350   0.051770  -0.100201  -0.000390  -0.001466
              13         14
     1  C    0.013896   0.021659
     2  C    0.027861  -0.049603
     3  C   -0.019160   0.005940
     4  O    0.004164  -0.000156
     5  O   -0.001949   0.272473
     6  N    0.304305  -0.004525
     7  O    0.001236   0.000607
     8  H   -0.081247   0.007350
     9  H   -0.008087   0.051770
    10  H   -0.003363  -0.100201
    11  H    0.000306  -0.000390
    12  H   -0.125203  -0.001466
    13  H    0.834552   0.002879
    14  H    0.002879   0.684229
 Mulliken charges:
               1
     1  C    1.118931
     2  C    0.010512
     3  C    0.634869
     4  O   -0.382119
     5  O   -0.415969
     6  N   -0.166171
     7  O   -0.472374
     8  H   -0.189397
     9  H   -0.284708
    10  H   -0.258598
    11  H    0.202582
    12  H    0.043197
    13  H    0.049812
    14  H    0.109434
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.575626
     2  C   -0.178885
     3  C    0.634869
     4  O   -0.179538
     5  O   -0.306535
     6  N   -0.073163
     7  O   -0.472374
 Electronic spatial extent (au):  <R**2>=            829.5298
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              3.3356    Y=              2.3989    Z=             -1.1105  Tot=              4.2561
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -51.3867   YY=            -42.5851   ZZ=            -37.6661
   XY=             -4.5646   XZ=             -3.3736   YZ=              1.0840
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -7.5074   YY=              1.2942   ZZ=              6.2132
   XY=             -4.5646   XZ=             -3.3736   YZ=              1.0840
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              9.2774  YYY=             13.0025  ZZZ=             -0.6969  XYY=             12.3041
  XXY=              1.9934  XXZ=            -13.8885  XZZ=              5.6706  YZZ=              1.6162
  YYZ=              0.3023  XYZ=              2.5398
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -707.5613 YYYY=           -291.3208 ZZZZ=            -63.7713 XXXY=            -23.0496
 XXXZ=            -38.9330 YYYX=             -7.9291 YYYZ=              1.7960 ZZZX=             -4.0290
 ZZZY=              3.3100 XXYY=           -152.6922 XXZZ=           -107.6910 YYZZ=            -55.5344
 XXYZ=              8.0082 YYXZ=             -5.4648 ZZXY=              0.0847
 N-N= 3.218548095216D+02 E-N=-1.578035412654D+03  KE= 3.958681356485D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Aug 16 21:25:02 2021, MaxMem=  5637144576 cpu:               1.3 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.30988813D+00 9.57809582D-01-4.46868773D-01
 Polarizability= 6.00135689D+01 2.98582690D-01 5.90339544D+01
                -1.92291414D+00 6.21864480D-01 4.44474993D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.8261    0.8262        0.0470    0.0471
 2     -0.8261   -0.8262       -0.1768   -0.1768       -0.7003   -0.7001
 3     -0.0470   -0.0471        8.7118    8.7112        0.1767    0.1768
 4      0.1768    0.1768        0.0000    0.0000       -0.0471   -0.0471
 5     -8.0115   -8.0111        0.0471    0.0471        0.8261    0.8262
 6     -0.1767   -0.1768       -0.8261   -0.8262       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -2.4786   -2.4786        0.1412    0.1412
 2      0.5303    0.5303        0.0000    0.0000        0.1412    0.1412
 3      0.5303    0.5303       -2.4786   -2.4786        0.0000    0.0000
 4     -2.4786   -2.4786       -0.5303   -0.5303       -2.1003   -2.1003
 5     -0.1412   -0.1412       26.1336   26.1336        0.5303    0.5303
 6    -24.0333  -24.0333        0.1412    0.1412        2.4786    2.4786
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0110    0.0000       -3.3044   -3.3048       -0.2140   -0.1882
 2      3.3043    3.3048        0.6904    0.7070        2.7575    2.8004
 3      0.2002    0.1882      -34.8366  -34.8448       -0.7012   -0.7070
 4     -0.7044   -0.7070        0.0048    0.0000        0.1741    0.1882
 5     32.0453   32.0444       -0.1908   -0.1882       -3.3085   -3.3048
 6      0.7068    0.7070        3.3003    3.3048        0.0027    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0030    0.0000        3.4883    3.4885        1.7355    1.7310
 2     -3.4963   -3.4885       18.6532   18.6630        1.0244    1.0121
 3     -1.7261   -1.7310        3.3151    3.2940      -18.6637  -18.6630
 4    -18.6688  -18.6630       -0.0026    0.0000       -1.7363   -1.7310
 5     -4.3101   -4.3061        1.7279    1.7310        3.4776    3.4885
 6     18.6678   18.6630       -3.4872   -3.4885       -0.0014    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -12.9716  -12.9775        2.1785    2.1814       -2.2475   -2.2531
 2    -39.9496  -39.9460        2.3990    2.3988       -2.2486   -2.2531
 3    -39.9403  -39.9460        2.1789    2.1814       -2.4800   -2.4850
 4     -0.2259   -0.2175       26.9942   26.9685       -4.0025   -4.0048
 5     -0.2348   -0.2319       10.0315   10.0173      -27.0063  -26.9685
 6     -6.0198   -6.0125        0.2302    0.2319        0.1903    0.2175
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.7858   -0.9958    0.0009    0.0010    0.0013    4.8879
 Low frequencies ---   48.6828  113.1570  198.8616
 Diagonal vibrational polarizability:
       51.1625215      74.6268119      46.7365880
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     48.6825               113.1569               198.8616
 Red. masses --      3.7194                 2.8194                 5.4418
 Frc consts  --      0.0052                 0.0213                 0.1268
 IR Inten    --      2.8391                10.3696                31.8820
 RamAct Fr= 1--      0.4313                 0.2297                 0.3181
  Dep-P Fr= 1--      0.7434                 0.7381                 0.7209
  Dep-U Fr= 1--      0.8528                 0.8493                 0.8378
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0002
 Beta2  Fr= 1--      0.0613                 0.0325                 0.0444
 AlphaG Fr= 1--     -0.0006                -0.0002                 0.0002
 Gamma2 Fr= 1--      0.1511                 0.2861                 0.0378
 Delta2 Fr= 1--      0.1128                 0.0966                -0.0679
 Raman1 Fr= 1--       1.725                  0.919                  1.272
 ROA1   Fr= 1--      18.113                 30.555                  1.459
 CID1   Fr= 1--      10.498                 33.257                  1.146
 Raman2 Fr= 1--       0.736                  0.390                  0.533
 ROA2   Fr= 1--       2.724                  6.093                  1.451
 CID2   Fr= 1--       3.702                 15.616                  2.722
 Raman3 Fr= 1--       1.471                  0.780                  1.066
 ROA3   Fr= 1--      18.113                 30.555                  1.459
 CID3   Fr= 1--      12.309                 39.159                  1.368
 RC180  Fr= 1--       0.706                  0.699                  0.676
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.05   0.08    -0.01  -0.11  -0.18    -0.15  -0.02  -0.16
     2   6    -0.00  -0.02  -0.07    -0.02  -0.06  -0.10    -0.01   0.18  -0.13
     3   6    -0.00  -0.01  -0.02    -0.02  -0.00   0.00     0.07   0.05  -0.02
     4   8     0.06  -0.02   0.28     0.03   0.04   0.04    -0.06  -0.09   0.03
     5   8    -0.01  -0.01   0.12    -0.02   0.16   0.17    -0.01  -0.26   0.15
     6   7     0.00   0.01  -0.19     0.06  -0.08  -0.04    -0.07   0.16  -0.02
     7   8    -0.03  -0.01  -0.21    -0.06   0.01   0.08     0.27   0.01   0.12
     8   1     0.03  -0.15  -0.05    -0.09  -0.01  -0.11    -0.05   0.27  -0.14
     9   1    -0.09   0.17   0.06    -0.19  -0.43  -0.17    -0.29  -0.19  -0.16
    10   1    -0.04   0.02   0.18     0.18  -0.06  -0.49    -0.31   0.05  -0.34
    11   1     0.09  -0.03   0.30     0.06   0.02  -0.01    -0.20  -0.01   0.03
    12   1     0.37   0.12  -0.32     0.06  -0.14  -0.03     0.05   0.11  -0.05
    13   1    -0.31   0.07  -0.49     0.12  -0.11   0.00    -0.21   0.28  -0.07
    14   1    -0.01  -0.00   0.11     0.16   0.48   0.07    -0.10   0.13  -0.06
                      4                      5                      6
                      A                      A                      A
 Frequencies --    217.1242               258.9252               320.1362
 Red. masses --      1.1289                 1.1841                 4.5336
 Frc consts  --      0.0314                 0.0468                 0.2738
 IR Inten    --     99.8694                28.8532                 9.6779
 RamAct Fr= 1--      0.8062                 0.1174                 0.3845
  Dep-P Fr= 1--      0.7153                 0.5839                 0.3759
  Dep-U Fr= 1--      0.8340                 0.7373                 0.5464
 Alpha2 Fr= 1--      0.0005                 0.0004                 0.0031
 Beta2  Fr= 1--      0.1121                 0.0144                 0.0350
 AlphaG Fr= 1--     -0.0018                 0.0038                -0.0028
 Gamma2 Fr= 1--     -0.4928                 0.1626                 0.0403
 Delta2 Fr= 1--      0.0085                 0.1340                 0.0220
 Raman1 Fr= 1--       3.225                  0.470                  1.538
 ROA1   Fr= 1--     -47.041                 19.902                  4.577
 CID1   Fr= 1--     -14.587                 42.381                  2.976
 Raman2 Fr= 1--       1.345                  0.173                  0.420
 ROA2   Fr= 1--     -11.896                  2.832                  0.792
 CID2   Fr= 1--      -8.846                 16.356                  1.885
 Raman3 Fr= 1--       2.690                  0.346                  0.840
 ROA3   Fr= 1--     -47.041                 19.902                  4.577
 CID3   Fr= 1--     -17.490                 57.482                  5.446
 RC180  Fr= 1--       0.668                  0.475                  0.093
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.00   0.02     0.00  -0.00  -0.03    -0.12  -0.04   0.08
     2   6     0.01  -0.01   0.04    -0.01   0.00   0.01    -0.03   0.01   0.08
     3   6    -0.01  -0.01   0.01    -0.01  -0.01   0.01     0.01   0.04   0.02
     4   8    -0.00   0.01  -0.05    -0.00   0.01  -0.06    -0.14  -0.08  -0.02
     5   8     0.03  -0.03   0.01    -0.00   0.03  -0.01    -0.22   0.10  -0.06
     6   7    -0.00  -0.00   0.02     0.00  -0.01   0.08     0.33  -0.01  -0.02
     7   8    -0.03  -0.01   0.00    -0.01  -0.01   0.03     0.17   0.01  -0.04
     8   1    -0.01  -0.03   0.04    -0.02   0.03   0.00    -0.03  -0.09   0.08
     9   1     0.09   0.02   0.02    -0.02  -0.06  -0.03    -0.07  -0.03   0.08
    10   1     0.01  -0.01   0.04     0.01   0.01  -0.07    -0.08  -0.05   0.09
    11   1     0.05  -0.01   0.04     0.08  -0.02   0.14    -0.31  -0.01   0.07
    12   1     0.27   0.03  -0.07     0.58  -0.00  -0.12     0.53  -0.03  -0.08
    13   1    -0.24   0.08  -0.18    -0.49   0.17  -0.33     0.40  -0.24  -0.14
    14   1    -0.35   0.68  -0.45     0.21  -0.34   0.24    -0.26   0.09  -0.07
                      7                      8                      9
                      A                      A                      A
 Frequencies --    366.3795               433.7003               528.3462
 Red. masses --      4.2161                 2.9260                 5.9745
 Frc consts  --      0.3334                 0.3243                 0.9826
 IR Inten    --      3.0786                 5.9329                 0.9175
 RamAct Fr= 1--      3.2763                 0.7014                 3.1875
  Dep-P Fr= 1--      0.1643                 0.3194                 0.7151
  Dep-U Fr= 1--      0.2823                 0.4841                 0.8339
 Alpha2 Fr= 1--      0.0488                 0.0068                 0.0019
 Beta2  Fr= 1--      0.1541                 0.0566                 0.4430
 AlphaG Fr= 1--      0.0009                -0.0041                -0.0085
 Gamma2 Fr= 1--     -0.1160                -0.2165                 0.0590
 Delta2 Fr= 1--     -0.0629                -0.0720                -0.0071
 Raman1 Fr= 1--      13.105                  2.805                 12.750
 ROA1   Fr= 1--     -13.147                -23.091                  5.438
 CID1   Fr= 1--      -1.003                 -8.231                  0.427
 Raman2 Fr= 1--       1.850                  0.679                  5.316
 ROA2   Fr= 1--      -2.280                 -4.620                  1.473
 CID2   Fr= 1--      -1.233                 -6.803                  0.277
 Raman3 Fr= 1--       3.699                  1.358                 10.632
 ROA3   Fr= 1--     -13.147                -23.091                  5.438
 CID3   Fr= 1--      -3.554                -17.001                  0.511
 RC180  Fr= 1--      -0.435                 -0.032                  0.668
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.16   0.04   0.06    -0.00  -0.17   0.02    -0.09   0.09  -0.06
     2   6     0.00  -0.05  -0.13    -0.00  -0.03   0.21     0.03   0.17   0.09
     3   6     0.08  -0.03  -0.11     0.05   0.03   0.10     0.04  -0.21   0.04
     4   8     0.26   0.08  -0.00     0.08   0.07  -0.03     0.20  -0.13  -0.05
     5   8    -0.22   0.05  -0.04    -0.10   0.03  -0.04    -0.07  -0.01   0.00
     6   7    -0.07  -0.09   0.10    -0.13   0.05  -0.09     0.15   0.28  -0.01
     7   8     0.10  -0.04   0.06     0.10   0.01  -0.07    -0.26  -0.17   0.02
     8   1     0.16   0.03  -0.12    -0.01  -0.12   0.21     0.00   0.24   0.08
     9   1    -0.20   0.30   0.04     0.09  -0.57   0.06    -0.09  -0.15  -0.04
    10   1    -0.15  -0.02   0.30    -0.01  -0.07  -0.36    -0.23   0.16  -0.28
    11   1     0.46  -0.01  -0.01     0.17   0.03  -0.10     0.22  -0.15  -0.14
    12   1    -0.02  -0.28   0.11    -0.23   0.38  -0.10     0.03   0.39   0.02
    13   1    -0.15   0.09   0.17    -0.17  -0.02  -0.19     0.36   0.02  -0.00
    14   1    -0.32   0.09  -0.09    -0.01  -0.05   0.03    -0.06  -0.03   0.01
                     10                     11                     12
                      A                      A                      A
 Frequencies --    619.7246               734.6493               857.5215
 Red. masses --      3.5959                 7.0976                 1.3971
 Frc consts  --      0.8137                 2.2570                 0.6053
 IR Inten    --      5.5552                10.9788                77.2896
 RamAct Fr= 1--      0.7741                 4.8543                 0.6293
  Dep-P Fr= 1--      0.3997                 0.0595                 0.2151
  Dep-U Fr= 1--      0.5712                 0.1123                 0.3541
 Alpha2 Fr= 1--      0.0057                 0.0937                 0.0082
 Beta2  Fr= 1--      0.0737                 0.0908                 0.0371
 AlphaG Fr= 1--      0.0121                 0.0379                 0.0389
 Gamma2 Fr= 1--      0.4795                -0.2827                -0.2720
 Delta2 Fr= 1--      0.2715                 0.0392                -0.1449
 Raman1 Fr= 1--       3.096                 19.417                  2.517
 ROA1   Fr= 1--      54.722                -25.885                -30.749
 CID1   Fr= 1--      17.673                 -1.333                -12.215
 Raman2 Fr= 1--       0.884                  1.090                  0.446
 ROA2   Fr= 1--       9.337                 -7.098                 -5.369
 CID2   Fr= 1--      10.558                 -6.513                -12.048
 Raman3 Fr= 1--       1.769                  2.180                  0.891
 ROA3   Fr= 1--      54.722                -25.885                -30.749
 CID3   Fr= 1--      30.941                -11.875                -34.498
 RC180  Fr= 1--       0.142                 -0.775                 -0.292
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.15  -0.11    -0.04   0.05  -0.08     0.00  -0.02   0.02
     2   6    -0.19  -0.02   0.03     0.12  -0.01  -0.06    -0.08  -0.03   0.01
     3   6    -0.06  -0.05   0.26     0.35   0.10   0.36     0.03   0.02  -0.06
     4   8     0.04   0.13  -0.07     0.05  -0.25  -0.11     0.04  -0.04  -0.04
     5   8     0.06  -0.04   0.04    -0.09  -0.01   0.02     0.02  -0.00  -0.00
     6   7     0.02  -0.05  -0.00    -0.06  -0.13  -0.01    -0.07   0.07  -0.02
     7   8     0.11  -0.10  -0.11    -0.14   0.26  -0.07    -0.00   0.04   0.02
     8   1    -0.64  -0.04  -0.03    -0.30  -0.10  -0.10    -0.09  -0.06   0.01
     9   1    -0.09   0.31  -0.13    -0.17   0.24  -0.10     0.04  -0.05   0.02
    10   1    -0.05   0.11   0.07    -0.10   0.01   0.11     0.03  -0.02   0.00
    11   1     0.29   0.01  -0.01    -0.42  -0.01   0.12     0.07  -0.02   0.79
    12   1     0.06  -0.16   0.00    -0.10  -0.19   0.00     0.22  -0.19  -0.06
    13   1     0.22  -0.26   0.04    -0.18   0.11   0.06     0.34  -0.34   0.08
    14   1     0.09   0.00   0.03    -0.02   0.03   0.03     0.01  -0.00  -0.01
                     13                     14                     15
                      A                      A                      A
 Frequencies --    867.3571               884.7048               948.3948
 Red. masses --      2.3885                 1.6905                 1.4784
 Frc consts  --      1.0587                 0.7796                 0.7835
 IR Inten    --     35.4104                57.3580                49.2112
 RamAct Fr= 1--      6.6565                 3.0242                 0.1840
  Dep-P Fr= 1--      0.0867                 0.3060                 0.4545
  Dep-U Fr= 1--      0.1596                 0.4686                 0.6249
 Alpha2 Fr= 1--      0.1204                 0.0305                 0.0011
 Beta2  Fr= 1--      0.1771                 0.2362                 0.0192
 AlphaG Fr= 1--     -0.0858                 0.0582                -0.0031
 Gamma2 Fr= 1--     -0.9351                 0.6668                -0.0088
 Delta2 Fr= 1--     -0.6402                 0.3408                 0.0610
 Raman1 Fr= 1--      26.626                 12.097                  0.736
 ROA1   Fr= 1--    -110.257                 74.922                  1.111
 CID1   Fr= 1--      -4.141                  6.194                  1.509
 Raman2 Fr= 1--       2.125                  2.835                  0.230
 ROA2   Fr= 1--     -17.321                 13.278                 -0.698
 CID2   Fr= 1--      -8.150                  4.684                 -3.034
 Raman3 Fr= 1--       4.250                  5.669                  0.460
 ROA3   Fr= 1--    -110.257                 74.922                  1.111
 CID3   Fr= 1--     -25.940                 13.216                  2.415
 RC180  Fr= 1--      -0.681                 -0.063                  0.250
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.13   0.02    -0.04   0.13  -0.00     0.01  -0.06  -0.08
     2   6     0.11  -0.01  -0.14     0.08   0.05   0.05    -0.08   0.00   0.08
     3   6    -0.03  -0.04   0.14    -0.02  -0.01  -0.01    -0.00   0.02  -0.08
     4   8    -0.07   0.07  -0.04    -0.03   0.02  -0.02     0.04  -0.04  -0.00
     5   8    -0.06   0.01  -0.00     0.01  -0.01  -0.00    -0.01  -0.00   0.02
     6   7     0.03   0.12  -0.01     0.05  -0.14  -0.05     0.06  -0.04   0.00
     7   8     0.00  -0.07  -0.03     0.00  -0.02   0.01     0.00   0.03   0.02
     8   1     0.01   0.01  -0.15     0.18  -0.04   0.07    -0.25   0.22   0.04
     9   1    -0.01   0.16  -0.01    -0.03  -0.22   0.02     0.05   0.39  -0.11
    10   1     0.13  -0.22   0.30    -0.16   0.23  -0.34     0.04  -0.17   0.36
    11   1     0.20  -0.04   0.58     0.17  -0.05   0.66     0.05  -0.03   0.20
    12   1    -0.23   0.03   0.08    -0.36   0.10   0.04    -0.35   0.47   0.06
    13   1    -0.05   0.45   0.18    -0.14   0.15   0.00    -0.18   0.07  -0.15
    14   1     0.05   0.05   0.02    -0.12  -0.06  -0.02     0.24   0.12   0.04
                     16                     17                     18
                      A                      A                      A
 Frequencies --   1025.8044              1074.8673              1125.9706
 Red. masses --      2.7108                 3.1831                 1.3402
 Frc consts  --      1.6807                 2.1667                 1.0011
 IR Inten    --    150.0242                31.9500                 4.4723
 RamAct Fr= 1--      1.5324                 3.7573                 1.5244
  Dep-P Fr= 1--      0.3414                 0.4013                 0.7240
  Dep-U Fr= 1--      0.5090                 0.5727                 0.8399
 Alpha2 Fr= 1--      0.0138                 0.0277                 0.0007
 Beta2  Fr= 1--      0.1300                 0.3586                 0.2134
 AlphaG Fr= 1--      0.0212                -0.0192                 0.0023
 Gamma2 Fr= 1--     -0.0083                 0.5612                 0.5358
 Delta2 Fr= 1--      0.3106                 0.4162                -0.1985
 Raman1 Fr= 1--       6.130                 15.029                  6.098
 ROA1   Fr= 1--       9.144                 67.194                 45.083
 CID1   Fr= 1--       1.492                  4.471                  7.393
 Raman2 Fr= 1--       1.560                  4.304                  2.561
 ROA2   Fr= 1--      -2.684                 10.139                 14.447
 CID2   Fr= 1--      -1.720                  2.356                  5.642
 Raman3 Fr= 1--       3.120                  8.607                  5.122
 ROA3   Fr= 1--       9.144                 67.194                 45.083
 CID3   Fr= 1--       2.931                  7.807                  8.802
 RC180  Fr= 1--       0.018                  0.145                  0.680
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10  -0.09   0.16     0.31   0.12   0.02     0.04  -0.03   0.04
     2   6    -0.17   0.05  -0.10    -0.13   0.00  -0.03     0.01   0.09  -0.04
     3   6    -0.04   0.04   0.03    -0.02   0.01  -0.04     0.06  -0.03   0.01
     4   8     0.07  -0.07  -0.02     0.03  -0.03  -0.00    -0.02   0.04   0.00
     5   8     0.16   0.06  -0.04    -0.19  -0.09   0.05     0.00   0.01   0.00
     6   7     0.09   0.00  -0.00     0.05   0.01  -0.01    -0.03  -0.06   0.01
     7   8     0.00   0.04  -0.00     0.00   0.02   0.01    -0.01  -0.03  -0.00
     8   1    -0.32  -0.07  -0.10    -0.37  -0.10  -0.06    -0.09   0.58  -0.09
     9   1    -0.18  -0.34   0.16     0.18  -0.26   0.05    -0.27  -0.04   0.01
    10   1     0.14  -0.05  -0.11     0.51   0.15  -0.25     0.28  -0.07   0.02
    11   1     0.08  -0.07  -0.03     0.01  -0.02  -0.04    -0.08   0.06   0.06
    12   1    -0.27  -0.01   0.09    -0.11  -0.14   0.05     0.04   0.25  -0.05
    13   1    -0.23   0.46   0.06    -0.10   0.28   0.06     0.06  -0.41  -0.18
    14   1    -0.35  -0.20  -0.09    -0.26  -0.15   0.07    -0.38  -0.18  -0.03
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1141.7743              1217.2927              1247.0755
 Red. masses --      2.2414                 2.2923                 1.7202
 Frc consts  --      1.7216                 2.0013                 1.5762
 IR Inten    --     33.6101                14.6259                 3.0055
 RamAct Fr= 1--      2.0601                 4.6890                 4.6994
  Dep-P Fr= 1--      0.7494                 0.2481                 0.3851
  Dep-U Fr= 1--      0.8567                 0.3976                 0.5560
 Alpha2 Fr= 1--      0.0000                 0.0559                 0.0367
 Beta2  Fr= 1--      0.2942                 0.3107                 0.4355
 AlphaG Fr= 1--      0.0007                 0.0149                 0.0197
 Gamma2 Fr= 1--      0.2220                -1.0970                 2.1858
 Delta2 Fr= 1--     -0.1223                -0.2059                -0.3495
 Raman1 Fr= 1--       8.240                 18.756                 18.798
 ROA1   Fr= 1--      17.398               -111.903                198.650
 CID1   Fr= 1--       2.111                 -5.966                 10.568
 Raman2 Fr= 1--       3.530                  3.729                  5.226
 ROA2   Fr= 1--       6.306                -24.682                 55.255
 CID2   Fr= 1--       1.786                 -6.619                 10.573
 Raman3 Fr= 1--       7.060                  7.458                 10.452
 ROA3   Fr= 1--      17.398               -111.903                198.650
 CID3   Fr= 1--       2.464                -15.005                 19.005
 RC180  Fr= 1--       0.713                 -0.205                  0.112
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.09   0.06    -0.03  -0.01  -0.00    -0.01   0.03   0.04
     2   6    -0.05   0.27  -0.00    -0.03  -0.00   0.06    -0.16  -0.05  -0.11
     3   6    -0.00  -0.01   0.02     0.24  -0.08  -0.10     0.10  -0.03   0.06
     4   8     0.02   0.00  -0.01    -0.05   0.12   0.02    -0.01   0.03  -0.01
     5   8    -0.03   0.00  -0.01     0.02   0.01  -0.00    -0.01  -0.02  -0.01
     6   7    -0.02  -0.10  -0.07     0.01   0.02  -0.01     0.03   0.01   0.05
     7   8    -0.02  -0.03  -0.00    -0.03  -0.08   0.01    -0.01  -0.01  -0.01
     8   1    -0.01   0.14   0.01    -0.49  -0.36   0.02     0.63  -0.00  -0.01
     9   1     0.48  -0.02   0.10    -0.06   0.01  -0.01     0.29  -0.12   0.07
    10   1    -0.36  -0.04   0.10    -0.06  -0.01   0.02    -0.02   0.07  -0.10
    11   1     0.00   0.01  -0.02    -0.51   0.32   0.11    -0.21   0.13   0.09
    12   1     0.09  -0.48  -0.06    -0.05  -0.18   0.03    -0.15   0.38   0.05
    13   1     0.01   0.03   0.08    -0.12   0.29   0.07    -0.06  -0.17  -0.17
    14   1     0.43   0.22   0.04    -0.03  -0.03  -0.00     0.31   0.17   0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1302.5053              1380.3463              1397.6192
 Red. masses --      1.2873                 1.2487                 1.2944
 Frc consts  --      1.2868                 1.4018                 1.4897
 IR Inten    --      9.3254                22.5151                 4.5204
 RamAct Fr= 1--      2.6345                 1.2347                 3.9191
  Dep-P Fr= 1--      0.6821                 0.7290                 0.7493
  Dep-U Fr= 1--      0.8110                 0.8433                 0.8567
 Alpha2 Fr= 1--      0.0032                 0.0004                 0.0000
 Beta2  Fr= 1--      0.3561                 0.1735                 0.5596
 AlphaG Fr= 1--      0.0030                -0.0055                 0.0005
 Gamma2 Fr= 1--     -0.9242                -1.1843                 1.1490
 Delta2 Fr= 1--     -0.0969                -0.3934                -0.7802
 Raman1 Fr= 1--      10.538                  4.939                 15.676
 ROA1   Fr= 1--     -91.823               -126.284                 85.340
 CID1   Fr= 1--      -8.714                -25.569                  5.444
 Raman2 Fr= 1--       4.273                  2.082                  6.715
 ROA2   Fr= 1--     -21.406                -25.276                 33.818
 CID2   Fr= 1--      -5.009                -12.138                  5.036
 Raman3 Fr= 1--       8.546                  4.165                 13.430
 ROA3   Fr= 1--     -91.823               -126.284                 85.340
 CID3   Fr= 1--     -10.744                -30.321                  6.355
 RC180  Fr= 1--       0.622                  0.687                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.02  -0.08    -0.07   0.05   0.07    -0.02   0.03   0.01
     2   6    -0.07   0.07   0.07     0.04   0.02   0.01    -0.03  -0.13   0.05
     3   6     0.00  -0.00   0.02     0.00  -0.01  -0.01     0.01  -0.00   0.01
     4   8     0.02   0.00  -0.01    -0.01  -0.00   0.00     0.01   0.01  -0.00
     5   8     0.01  -0.00   0.01    -0.02  -0.05  -0.05     0.00  -0.00  -0.01
     6   7     0.00  -0.01  -0.04    -0.01  -0.01  -0.00     0.01   0.02  -0.06
     7   8    -0.00  -0.01  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     8   1     0.60  -0.14   0.18    -0.15  -0.01  -0.01     0.08   0.83   0.00
     9   1    -0.16   0.16  -0.11    -0.31  -0.15   0.07     0.04  -0.12   0.04
    10   1     0.51  -0.15   0.14     0.62  -0.02  -0.01    -0.07   0.03   0.03
    11   1    -0.10   0.06   0.03     0.07  -0.04  -0.02    -0.14   0.08   0.01
    12   1     0.03  -0.27  -0.01     0.02  -0.01  -0.01     0.04  -0.30  -0.03
    13   1    -0.03   0.17   0.08     0.01  -0.01   0.01    -0.03   0.32   0.13
    14   1    -0.22  -0.12  -0.01     0.58   0.31  -0.02     0.08   0.04   0.00
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1404.1438              1414.0166              1503.7299
 Red. masses --      1.2334                 1.6221                 1.0844
 Frc consts  --      1.4328                 1.9109                 1.4448
 IR Inten    --     17.2006               405.9445                 3.0156
 RamAct Fr= 1--      1.3324                 3.3873                 3.7598
  Dep-P Fr= 1--      0.5281                 0.2402                 0.7490
  Dep-U Fr= 1--      0.6911                 0.3874                 0.8565
 Alpha2 Fr= 1--      0.0057                 0.0413                 0.0001
 Beta2  Fr= 1--      0.1535                 0.2187                 0.5367
 AlphaG Fr= 1--      0.0097                -0.0305                 0.0005
 Gamma2 Fr= 1--      0.8801                 0.0967                 0.0819
 Delta2 Fr= 1--      0.0516                 0.1377                 0.0471
 Raman1 Fr= 1--       5.330                 13.549                 15.039
 ROA1   Fr= 1--      86.145                 13.689                  9.366
 CID1   Fr= 1--      16.163                  1.010                  0.623
 Raman2 Fr= 1--       1.842                  2.625                  6.441
 ROA2   Fr= 1--      20.710                  1.220                  1.588
 CID2   Fr= 1--      11.245                  0.465                  0.247
 Raman3 Fr= 1--       3.684                  5.249                 12.881
 ROA3   Fr= 1--      86.145                 13.689                  9.366
 CID3   Fr= 1--      23.386                  2.608                  0.727
 RC180  Fr= 1--       0.382                 -0.225                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12   0.03  -0.04    -0.00  -0.00  -0.01     0.02   0.06  -0.05
     2   6     0.05  -0.00  -0.02    -0.06  -0.00   0.02    -0.00   0.01  -0.01
     3   6     0.00  -0.01  -0.01     0.15  -0.06  -0.03    -0.00  -0.00   0.00
     4   8    -0.01   0.00   0.00    -0.12   0.01   0.02     0.00  -0.00   0.00
     5   8     0.00   0.00   0.03     0.01   0.00   0.00     0.00   0.01  -0.00
     6   7    -0.01  -0.00   0.00     0.01   0.01  -0.01     0.00  -0.00   0.01
     7   8     0.00   0.00   0.00    -0.01   0.06   0.00     0.00   0.00  -0.00
     8   1    -0.16   0.05  -0.05     0.08   0.07   0.03     0.03  -0.07   0.00
     9   1     0.83  -0.14   0.05     0.01   0.01  -0.01    -0.14  -0.67   0.01
    10   1     0.41  -0.09   0.11    -0.02  -0.01   0.02    -0.17  -0.12   0.69
    11   1     0.02  -0.01  -0.01     0.82  -0.46  -0.18    -0.00   0.00   0.00
    12   1     0.01   0.04  -0.01    -0.01  -0.13   0.01    -0.03   0.01   0.01
    13   1     0.01  -0.03  -0.01     0.01   0.03  -0.00    -0.01  -0.05  -0.04
    14   1    -0.17  -0.11   0.03    -0.04  -0.02  -0.00    -0.01   0.00  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1667.1986              1834.6990              3030.5293
 Red. masses --      1.0888                 9.7187                 1.0786
 Frc consts  --      1.7831                19.2748                 5.8363
 IR Inten    --     37.1995               313.3596                 2.6443
 RamAct Fr= 1--      2.9709                13.0089               156.4315
  Dep-P Fr= 1--      0.5955                 0.2646                 0.1349
  Dep-U Fr= 1--      0.7465                 0.4185                 0.2377
 Alpha2 Fr= 1--      0.0085                 0.1479                 2.5123
 Beta2  Fr= 1--      0.3696                 0.9074                 6.1971
 AlphaG Fr= 1--      0.0014                 0.0970                -0.3078
 Gamma2 Fr= 1--      0.0003                 0.4033                -0.3634
 Delta2 Fr= 1--     -0.1423                 0.1403                 1.6368
 Raman1 Fr= 1--      11.884                 52.035                625.726
 ROA1   Fr= 1--      -4.523                 43.207                 17.488
 CID1   Fr= 1--      -0.381                  0.830                  0.028
 Raman2 Fr= 1--       4.436                 10.889                 74.366
 ROA2   Fr= 1--       1.146                  8.557                -21.817
 CID2   Fr= 1--       0.258                  0.786                 -0.293
 Raman3 Fr= 1--       8.871                 21.777                148.731
 ROA3   Fr= 1--      -4.523                 43.207                 17.488
 CID3   Fr= 1--      -0.510                  1.984                  0.118
 RC180  Fr= 1--       0.493                 -0.163                 -0.525
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.01   0.01  -0.01    -0.00  -0.01   0.03
     2   6    -0.03   0.01  -0.01    -0.02  -0.04   0.01     0.01  -0.00  -0.07
     3   6     0.01  -0.01  -0.00     0.18   0.70  -0.01     0.00  -0.00  -0.00
     4   8    -0.00   0.00   0.00    -0.04  -0.06   0.01    -0.00  -0.00  -0.00
     5   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     6   7    -0.03  -0.06  -0.02    -0.00  -0.01  -0.00    -0.00  -0.00   0.00
     7   8    -0.00   0.00   0.00    -0.11  -0.43   0.00     0.00   0.00   0.00
     8   1     0.02  -0.03   0.00     0.01   0.03   0.00    -0.11   0.06   0.86
     9   1     0.00  -0.03  -0.00     0.03  -0.02  -0.01     0.04  -0.04  -0.46
    10   1    -0.01  -0.00   0.03     0.06   0.02   0.02     0.02   0.14   0.04
    11   1     0.02  -0.01  -0.02     0.47  -0.20  -0.11    -0.00   0.00  -0.00
    12   1     0.41   0.54  -0.21    -0.00   0.01   0.00    -0.01  -0.00  -0.02
    13   1     0.24   0.33   0.57     0.02  -0.03   0.01     0.01  -0.00  -0.01
    14   1    -0.00  -0.01   0.00    -0.00   0.00  -0.01    -0.00   0.00   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --   3045.1804              3096.5599              3440.3785
 Red. masses --      1.0647                 1.1058                 1.0642
 Frc consts  --      5.8170                 6.2473                 7.4215
 IR Inten    --     27.2891                17.6502               259.9799
 RamAct Fr= 1--     31.3524                41.3939                68.3356
  Dep-P Fr= 1--      0.0614                 0.5155                 0.0810
  Dep-U Fr= 1--      0.1157                 0.6803                 0.1499
 Alpha2 Fr= 1--      0.6027                 0.1898                 1.2530
 Beta2  Fr= 1--      0.6044                 4.6935                 1.7074
 AlphaG Fr= 1--     -0.0696                -0.1942                 0.1453
 Gamma2 Fr= 1--      0.6879                -3.3184                 0.4136
 Delta2 Fr= 1--      1.3642                -2.0460                 1.3014
 Raman1 Fr= 1--     125.409                165.575                273.342
 ROA1   Fr= 1--     109.692               -384.033                 81.352
 CID1   Fr= 1--       0.875                 -2.319                  0.298
 Raman2 Fr= 1--       7.253                 56.323                 20.489
 ROA2   Fr= 1--       5.596                -63.273                 -0.484
 CID2   Fr= 1--       0.772                 -1.123                 -0.024
 Raman3 Fr= 1--      14.506                112.645                 40.977
 ROA3   Fr= 1--     109.692               -384.033                 81.352
 CID3   Fr= 1--       7.562                 -3.409                  1.985
 RC180  Fr= 1--      -0.769                  0.361                 -0.700
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03  -0.05    -0.00  -0.07  -0.06     0.00  -0.00   0.00
     2   6     0.00  -0.00  -0.04     0.00  -0.00  -0.01    -0.00   0.00   0.00
     3   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.01  -0.00
     4   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.03  -0.05   0.00
     5   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   7    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     8   1    -0.06   0.03   0.46    -0.01   0.01   0.13    -0.00  -0.00  -0.00
     9   1    -0.06   0.07   0.72    -0.04   0.03   0.49     0.00   0.00  -0.00
    10   1    -0.07  -0.48  -0.14     0.11   0.82   0.21     0.00  -0.01  -0.00
    11   1     0.00   0.00  -0.00     0.00   0.01  -0.00     0.42   0.90  -0.04
    12   1    -0.00   0.01  -0.00    -0.00   0.00  -0.00     0.03   0.01   0.09
    13   1     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.05   0.03  -0.05
    14   1    -0.00  -0.00  -0.01    -0.01  -0.01  -0.02    -0.00   0.00   0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --   3491.7203              3578.6627              3808.9110
 Red. masses --      1.0540                 1.0888                 1.0666
 Frc consts  --      7.5712                 8.2159                 9.1169
 IR Inten    --      0.8370                10.7196                36.4128
 RamAct Fr= 1--     76.6736                50.3150                74.0232
  Dep-P Fr= 1--      0.0794                 0.4775                 0.1689
  Dep-U Fr= 1--      0.1471                 0.6464                 0.2890
 Alpha2 Fr= 1--      1.4114                 0.2750                 1.0902
 Beta2  Fr= 1--      1.8803                 5.4202                 3.5661
 AlphaG Fr= 1--     -0.1065                 0.0526                 0.5037
 Gamma2 Fr= 1--     -2.0411                 0.7203                 2.4231
 Delta2 Fr= 1--     -0.8936                -0.5030                 0.3032
 Raman1 Fr= 1--     306.694                201.260                296.093
 ROA1   Fr= 1--    -224.539                 53.055                242.319
 CID1   Fr= 1--      -0.732                  0.264                  0.818
 Raman2 Fr= 1--      22.564                 65.043                 42.793
 ROA2   Fr= 1--     -41.837                 21.311                 55.728
 CID2   Fr= 1--      -1.854                  0.328                  1.302
 Raman3 Fr= 1--      45.128                130.085                 85.585
 ROA3   Fr= 1--    -224.539                 53.055                242.319
 CID3   Fr= 1--      -4.976                  0.408                  2.831
 RC180  Fr= 1--      -0.706                  0.293                 -0.422
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     4   8     0.00   0.01  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     5   8     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.02  -0.02  -0.05
     6   7    -0.04  -0.02  -0.04    -0.03  -0.03   0.07     0.00   0.00  -0.00
     7   8     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     8   1    -0.00   0.00   0.01     0.00  -0.00  -0.01     0.00  -0.00  -0.00
     9   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.01
    10   1    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.01   0.01
    11   1    -0.05  -0.10   0.00    -0.01  -0.03   0.00     0.00  -0.00  -0.00
    12   1     0.24   0.10   0.85    -0.14  -0.05  -0.40     0.00   0.00   0.00
    13   1     0.26   0.21  -0.28     0.59   0.44  -0.53    -0.00  -0.00   0.00
    14   1     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.29   0.41   0.86

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  8 and mass  15.99491
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  7 and mass  14.00307
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Molecular mass:   105.04259 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   393.69852 981.440281309.20589
           X            0.99976  -0.02150  -0.00474
           Y            0.02150   0.99977   0.00021
           Z            0.00474  -0.00031   0.99999
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.22000     0.08825     0.06616
 Rotational constants (GHZ):           4.58407     1.83887     1.37850
 Zero-point vibrational energy     296833.3 (Joules/Mol)
                                   70.94486 (Kcal/Mol)
 Warning -- explicit consideration of  10 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     70.04   162.81   286.12   312.39   372.54
          (Kelvin)            460.60   527.14   624.00   760.17   891.65
                             1057.00  1233.78  1247.93  1272.89  1364.53
                             1475.90  1546.49  1620.02  1642.76  1751.41
                             1794.26  1874.01  1986.01  2010.86  2020.25
                             2034.45  2163.53  2398.73  2639.72  4360.26
                             4381.34  4455.26  4949.94  5023.81  5148.90
                             5480.17
 
 Zero-point correction=                           0.113058 (Hartree/Particle)
 Thermal correction to Energy=                    0.120889
 Thermal correction to Enthalpy=                  0.121833
 Thermal correction to Gibbs Free Energy=         0.080483
 Sum of electronic and zero-point Energies=           -399.038862
 Sum of electronic and thermal Energies=              -399.031031
 Sum of electronic and thermal Enthalpies=            -399.030087
 Sum of electronic and thermal Free Energies=         -399.071437
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   75.859             27.099             87.029
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             39.865
 Rotational               0.889              2.981             27.716
 Vibrational             74.081             21.137             19.448
 Vibration     1          0.595              1.978              4.870
 Vibration     2          0.607              1.939              3.214
 Vibration     3          0.637              1.841              2.144
 Vibration     4          0.646              1.815              1.983
 Vibration     5          0.668              1.748              1.669
 Vibration     6          0.706              1.635              1.309
 Vibration     7          0.739              1.541              1.095
 Vibration     8          0.794              1.397              0.847
 Vibration     9          0.883              1.187              0.591
 Vibration    10          0.980              0.990              0.417
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.956338D-37        -37.019388        -85.240292
 Total V=0       0.962845D+15         14.983556         34.500914
 Vib (Bot)       0.887659D-50        -50.051754       -115.248422
 Vib (Bot)    1  0.424689D+01          0.628071          1.446186
 Vib (Bot)    2  0.180875D+01          0.257378          0.592634
 Vib (Bot)    3  0.100312D+01          0.001352          0.003113
 Vib (Bot)    4  0.912107D+00         -0.039954         -0.091998
 Vib (Bot)    5  0.750541D+00         -0.124626         -0.286961
 Vib (Bot)    6  0.587147D+00         -0.231253         -0.532480
 Vib (Bot)    7  0.498137D+00         -0.302651         -0.696880
 Vib (Bot)    8  0.400586D+00         -0.397304         -0.914826
 Vib (Bot)    9  0.303163D+00         -0.518324         -1.193485
 Vib (Bot)   10  0.236045D+00         -0.627005         -1.443732
 Vib (V=0)       0.893698D+02          1.951191          4.492783
 Vib (V=0)    1  0.477622D+01          0.679084          1.563649
 Vib (V=0)    2  0.237658D+01          0.375953          0.865664
 Vib (V=0)    3  0.162082D+01          0.209736          0.482934
 Vib (V=0)    4  0.154016D+01          0.187567          0.431888
 Vib (V=0)    5  0.140184D+01          0.146698          0.337784
 Vib (V=0)    6  0.127119D+01          0.104212          0.239957
 Vib (V=0)    7  0.120579D+01          0.081272          0.187136
 Vib (V=0)    8  0.114068D+01          0.057163          0.131623
 Vib (V=0)    9  0.108473D+01          0.035321          0.081330
 Vib (V=0)   10  0.105292D+01          0.022394          0.051564
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.423157D+08          7.626502         17.560670
 Rotational      0.254603D+06          5.405863         12.447460
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3       3  3 3          333                                       1     1    11111  1 11 11 11                                  
     8       5  4 4          000                                       8     6    54433  3 22 11 00  9888   7   6  5  4 3 3 221  1   
     0       7  9 4          943                                       3     6    01098  0 41 42 72  4865   3   2  2  3 6 2 519  1 4 
     9       9  2 0          751                                       5     7    44480  3 77 26 56  8578   5   0  8  4 6 0 979  3 9 
 
     X       X  X X          XXX                                       X     X    XXXXX  X XX XX XX  XXXX   X   X  X  X X X XXX  X X 
     X            X                                                    X     X     X          X  XX  XXXX                    XX      
                  X                                                    X           X              X   X X                    X       
                  X                                                    X           X              X     X                    X       
                  X                                                    X           X              X                          X       
                  X                                                    X           X              X                                  
                  X                                                    X           X              X                                  
                  X                                                    X           X                                                 
                  X                                                    X           X                                                 
                  X                                                    X           X                                                 
                  X                                                    X           X                                                 
                  X                                                    X           X                                                 
                  X                                                    X           X                                                 
                                                                       X           X                                                 
                                                                       X           X                                                 
                                                                                   X                                                 
                                                                                   X                                                 
                                                                                   X                                                 
                                                                                   X                                                 
                                                                                   X                                                 
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000026942    0.000003862    0.000021427
      2        6          -0.000045838    0.000013748   -0.000034253
      3        6           0.000030767    0.000016217   -0.000001765
      4        8           0.000000747    0.000007010    0.000001110
      5        8          -0.000012304   -0.000029752    0.000015538
      6        7           0.000004648   -0.000016981    0.000010314
      7        8          -0.000004295   -0.000032921   -0.000000275
      8        1           0.000010396   -0.000005835    0.000000750
      9        1          -0.000003924    0.000005373   -0.000000980
     10        1           0.000001209    0.000000431    0.000001253
     11        1          -0.000017386    0.000012429    0.000004674
     12        1           0.000014459    0.000005500   -0.000000056
     13        1          -0.000002209    0.000007324   -0.000003866
     14        1          -0.000003211    0.000013594   -0.000013872
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000045838 RMS     0.000015502
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.659477D+02  0.941127D-01 -0.165238D+01
      2   0.941127D-01  0.645475D+02  0.353515D+00
      3  -0.165238D+01  0.353515D+00  0.485253D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.701847D-01 -0.179352D+01 -0.156744D+01
      2   0.625601D-01 -0.576214D+00  0.130875D+02
      3   0.505594D+01  0.557555D+01  0.157682D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.232222D+02 -0.266214D+01 -0.194230D+01
      2  -0.180998D+02  0.292546D+01  0.542681D+00
      3  -0.512238D+01 -0.263324D+00  0.139962D+01
      4   0.423052D+01 -0.112042D+02 -0.168947D+01
      5  -0.266043D+01 -0.402648D+01  0.287418D+02
      6  -0.135486D+01 -0.407322D+00  0.641190D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.478666D+00 -0.171022D+01  0.783962D+00 -0.300753D+01  0.141061D+01
      2  -0.171022D+01  0.212148D+01 -0.213069D+00  0.141061D+01  0.419041D+01
      3   0.783962D+00 -0.213069D+00  0.142366D+01 -0.346250D+00  0.108703D+01
                 6             7             8             9            10 
      1  -0.346250D+00  0.179393D+01 -0.551779D+00  0.954354D+00  0.117620D+00
      2   0.108703D+01 -0.551779D+00  0.149831D+01  0.460512D-02  0.282462D+01
      3  -0.228805D+00  0.954354D+00  0.460512D-02 -0.703673D+01 -0.690256D+00
                11            12            13            14            15 
      1   0.282462D+01 -0.690256D+00  0.234808D+01 -0.286354D+00 -0.126756D-01
      2  -0.172171D+01  0.488640D+00 -0.286354D+00 -0.296658D+01 -0.619655D+00
      3   0.488640D+00 -0.594193D+00 -0.126756D-01 -0.619655D+00  0.694483D+00
                16            17            18            19            20 
      1  -0.824695D+00  0.968295D+00 -0.109312D+01 -0.179525D+01 -0.176393D+01
      2   0.968295D+00 -0.113979D+01  0.336183D+00 -0.176393D+01  0.161873D+01
      3  -0.109312D+01  0.336183D+00  0.673677D+01 -0.872815D-01  0.105948D+00
                21            22            23            24            25 
      1  -0.872815D-01  0.228331D+00  0.225160D+01  0.161868D+00 -0.719106D+00
      2   0.105948D+00  0.225160D+01  0.609691D+01  0.682473D-01  0.258864D+00
      3  -0.328208D+00  0.161868D+00  0.682473D-01  0.336578D+00 -0.127487D+00
                26            27            28            29            30 
      1   0.258864D+00 -0.127487D+00 -0.803981D+01  0.170233D+01  0.531320D+00
      2   0.489942D+00  0.236383D+00  0.170233D+01 -0.270806D+01 -0.200368D+00
      3   0.236383D+00 -0.413797D+00  0.531320D+00 -0.200368D+00 -0.110892D+01
                31            32            33            34            35 
      1  -0.160496D+01 -0.369521D+01  0.284895D-01  0.142127D+01 -0.192627D+00
      2  -0.369521D+01 -0.591412D+00  0.233969D+00 -0.192627D+00  0.206979D+00
      3   0.284895D-01  0.233969D+00  0.564428D+00 -0.176278D+01  0.127337D+01
                36            37            38            39            40 
      1  -0.176278D+01  0.702530D+01  0.582514D+00  0.107166D+01  0.275626D+01
      2   0.127337D+01  0.582514D+00  0.329163D+00 -0.355212D+00  0.687709D+00
      3   0.928770D+00  0.107166D+01 -0.355212D+00 -0.110194D+01 -0.620183D+00
                41            42            43            44            45 
      1   0.687709D+00 -0.620183D+00  0.251757D+01 -0.456282D+00 -0.601974D+00
      2   0.115426D+01  0.256111D+00 -0.456282D+00  0.896298D+00  0.121941D+01
      3   0.256111D+00  0.174177D+01 -0.601974D+00  0.121941D+01  0.393449D+01
                46            47            48            49            50 
      1  -0.210977D+01 -0.171603D+01  0.942938D+00 -0.936272D+00 -0.154869D+01
      2  -0.171603D+01 -0.177691D+01  0.135252D+00 -0.154869D+01  0.466541D+01
      3   0.942938D+00  0.135252D+00 -0.212928D+01  0.367518D+00  0.573748D+00
                51            52            53            54            55 
      1   0.367518D+00  0.111642D+01  0.403279D+00 -0.207315D+01 -0.203798D+01
      2   0.573748D+00  0.403279D+00  0.604371D+00 -0.863889D+00 -0.322640D+01
      3  -0.737600D+00 -0.207315D+01 -0.863889D+00 -0.360334D+01 -0.669970D-01
                56            57            58            59            60 
      1  -0.322640D+01 -0.669970D-01 -0.436218D+01 -0.262736D+01 -0.213831D-01
      2  -0.279288D+01 -0.235828D+00 -0.262736D+01 -0.131349D+02 -0.150508D+00
      3  -0.235828D+00 -0.312021D+00 -0.213831D-01 -0.150508D+00 -0.233884D+01
                61            62            63            64            65 
      1  -0.491301D-01 -0.512195D-01 -0.107851D+01  0.380395D+00 -0.497840D+00
      2  -0.512195D-01 -0.140516D-01 -0.318684D+01 -0.497840D+00  0.436919D+00
      3  -0.107851D+01 -0.318684D+01 -0.484077D-01 -0.109664D+01 -0.586369D-01
                66            67            68            69            70 
      1  -0.109664D+01 -0.109111D+01  0.344949D+00  0.133615D+00 -0.182637D+01
      2  -0.586369D-01  0.344949D+00  0.441294D+00 -0.105156D+01 -0.145849D+00
      3   0.101397D+01  0.133615D+00 -0.105156D+01 -0.519419D+00  0.865851D+00
                71            72            73            74            75 
      1  -0.145849D+00  0.865851D+00  0.317220D-01  0.239838D+00  0.924667D+00
      2  -0.151043D+01 -0.455765D-01  0.239838D+00 -0.302951D+00  0.825560D-01
      3  -0.455765D-01 -0.809711D+01  0.924667D+00  0.825560D-01 -0.661836D+00
                76            77            78            79            80 
      1   0.850833D+00 -0.129554D+00 -0.418542D-02  0.173171D+01 -0.206591D+00
      2  -0.129554D+00 -0.391276D+00  0.961484D+00 -0.206591D+00  0.140110D+01
      3  -0.418542D-02  0.961484D+00  0.619838D+00  0.121795D+00 -0.607069D+00
                81            82            83            84            85 
      1   0.121795D+00 -0.791659D+00 -0.838674D+00 -0.371752D+00 -0.156600D+01
      2  -0.607069D+00 -0.838674D+00 -0.415452D+00  0.681030D-01 -0.198357D-01
      3   0.817492D+01 -0.371752D+00  0.681030D-01 -0.208283D+00  0.142325D-01
                86            87            88            89            90 
      1  -0.198357D-01  0.142325D-01 -0.103396D+01  0.968079D-01 -0.986743D-01
      2  -0.784617D+01 -0.432897D+00  0.968079D-01 -0.123162D+01 -0.107847D+01
      3  -0.432897D+00 -0.115254D+01 -0.986743D-01 -0.107847D+01  0.458047D-01
                91            92            93            94            95 
      1   0.210757D+01  0.185367D+01 -0.256504D+00  0.445306D+01  0.222169D+00
      2   0.185367D+01  0.655983D+00  0.104751D+00  0.222169D+00  0.474981D+01
      3  -0.256504D+00  0.104751D+00 -0.337332D+00 -0.237493D+00  0.151366D+00
                96            97            98            99           100 
      1  -0.237493D+00 -0.413005D+00 -0.113128D+00 -0.577891D+00  0.427110D+00
      2   0.151366D+00 -0.113128D+00 -0.747902D-01  0.568007D+00  0.740691D+00
      3   0.902397D+00 -0.577891D+00  0.568007D+00  0.123499D+00  0.738009D+00
               101           102           103           104           105 
      1   0.740691D+00  0.738009D+00  0.685720D+00  0.400106D+00  0.432846D+00
      2   0.772992D+00  0.710778D+00  0.400106D+00  0.118816D+01  0.736639D+00
      3   0.710778D+00  0.123335D+01  0.432846D+00  0.736639D+00  0.818004D+00
               106           107           108           109           110 
      1   0.183457D+01  0.531279D+00  0.156505D+01  0.277001D+01  0.231217D+01
      2   0.531279D+00  0.245352D+01  0.185514D+01  0.231217D+01  0.303920D+01
      3   0.156505D+01  0.185514D+01  0.557927D+01 -0.107398D+01 -0.966701D+00
               111           112           113           114           115 
      1  -0.107398D+01  0.260195D+01  0.203859D+01 -0.792954D+00 -0.219457D+01
      2  -0.966701D+00  0.203859D+01  0.331843D+01 -0.949864D+00 -0.128399D+01
      3   0.141652D+01 -0.792954D+00 -0.949864D+00  0.112435D+01  0.133457D+01
               116           117           118           119           120 
      1  -0.128399D+01  0.133457D+01  0.239341D+01 -0.502728D+00 -0.134915D+01
      2  -0.214284D+01  0.143975D+01 -0.502728D+00  0.743512D+00  0.333786D+00
      3   0.143975D+01 -0.164818D+01 -0.134915D+01  0.333786D+00  0.169450D+01
               121           122           123           124           125 
      1  -0.135618D+01  0.951274D+00  0.896555D+00 -0.335463D+01  0.742940D+00
      2   0.951274D+00 -0.874309D+00 -0.864114D+00  0.742940D+00 -0.143700D+01
      3   0.896555D+00 -0.864114D+00 -0.182465D+01  0.257196D+01 -0.115099D+01
               126 
      1   0.257196D+01
      2  -0.115099D+01
      3  -0.467598D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.164280D+01  0.370725D+00  0.982082D+00 -0.149012D+01  0.682212D+01
      2   0.112796D+01 -0.469915D-01  0.634653D+00 -0.107688D+01  0.339803D+00
      3   0.153403D+01  0.167870D+01 -0.679754D+00  0.639538D+01 -0.731346D+01
                 6             7             8             9            10 
      1  -0.178551D+01  0.315086D+00  0.202493D+01 -0.557014D+01 -0.121564D+01
      2  -0.490069D+00 -0.331688D+01  0.653063D+00 -0.608156D+01  0.303147D+01
      3  -0.659255D+00 -0.193326D+01 -0.163925D+01 -0.543831D+00  0.171912D+01
                11            12            13            14            15 
      1   0.525794D+00 -0.739042D+00  0.618831D+00  0.805028D-01 -0.513765D+00
      2  -0.888904D+00  0.330913D+01  0.160683D+01 -0.166810D+01  0.105684D+01
      3  -0.567537D+01  0.622825D+00 -0.114220D+01  0.954523D+00  0.737678D+00
                16            17            18            19            20 
      1  -0.123030D+01  0.443359D+01  0.143326D+00  0.714657D+00  0.983037D+00
      2  -0.296584D+01  0.182381D+00  0.896424D+00 -0.516733D+01  0.799991D-01
      3  -0.263138D+00  0.857294D+00  0.655819D+00 -0.564221D+01 -0.173547D+00
                21            22            23            24            25 
      1   0.232670D+00  0.162644D+01 -0.310073D+00  0.914791D+01 -0.216727D+00
      2  -0.536413D+01 -0.601042D+00  0.125282D+01 -0.171430D+01 -0.175397D+02
      3  -0.223985D+00 -0.522617D+00  0.941401D+01 -0.148463D+01  0.185042D+01
                26            27            28            29            30 
      1   0.970175D+01  0.627733D+00 -0.916854D+00 -0.948548D+00  0.286278D+01
      2  -0.160935D+01  0.369572D+01  0.546691D+00  0.281649D+00  0.775777D+01
      3  -0.209206D+01  0.954284D+00 -0.551170D+01 -0.147924D+02  0.156391D+00
                31            32            33            34            35 
      1  -0.519055D+00 -0.740385D+00 -0.403211D+01  0.764319D+00  0.210451D+01
      2   0.745851D+00 -0.215784D+00 -0.884277D+00  0.498402D+01 -0.963995D+00
      3  -0.104556D+02 -0.803891D+01  0.504118D+00  0.401057D+00  0.207347D+01
                36            37            38            39            40 
      1  -0.688112D+00 -0.255510D+00 -0.218215D+00  0.313502D+00  0.145854D+01
      2  -0.257175D+01  0.174737D+01 -0.163783D+01  0.271339D+01 -0.151578D+01
      3   0.180441D+01 -0.656305D+01 -0.784910D+01  0.176601D+01  0.761835D+00
                41            42            43            44            45 
      1  -0.936885D+00 -0.246950D+01  0.185807D+01  0.145840D+01  0.980351D+00
      2   0.113734D+01  0.569081D+01 -0.685047D+01  0.356578D+01  0.116640D+02
      3  -0.532181D+01 -0.188416D+01  0.154868D+01 -0.282775D+01 -0.443928D+01
                46            47            48            49            50 
      1  -0.207914D+01 -0.112042D+01  0.515579D+01 -0.198309D+01 -0.343289D+01
      2  -0.253186D-01  0.149970D+01  0.354510D+01  0.626733D+00  0.778551D+00
      3  -0.508966D+01 -0.104453D+02  0.118980D+01  0.245295D+01 -0.186414D+01
                51            52            53            54            55 
      1  -0.271643D+01  0.556651D+01  0.689821D+01  0.690126D+01  0.274348D+00
      2  -0.787440D+00 -0.342556D+01 -0.811930D+00  0.277932D+00  0.334783D+00
      3   0.615608D+00  0.268944D+01  0.112019D+01 -0.476874D+01 -0.178805D+00
                56            57            58            59            60 
      1   0.139758D+00 -0.287289D+01  0.339845D-01  0.102909D+01 -0.108302D+02
      2   0.209824D+00  0.469267D+01 -0.129720D+01 -0.519538D+00  0.441025D+01
      3  -0.492273D+01 -0.272044D+00  0.101075D+02 -0.181719D+02  0.181981D+00
                61            62            63            64            65 
      1  -0.416034D+00  0.893989D+00  0.167906D+00  0.300319D+00 -0.794441D+00
      2   0.231940D+01  0.447583D+01 -0.953029D+00  0.464592D+00 -0.547766D-01
      3  -0.112394D+01  0.308714D+00 -0.440940D+01  0.239897D+00 -0.741242D+00
                66            67            68            69            70 
      1   0.232289D+00 -0.504958D+00 -0.485600D+00 -0.339709D+00  0.158486D+00
      2   0.859355D+00 -0.308191D+00  0.363785D+00 -0.599462D+00 -0.262438D+01
      3  -0.195475D+00  0.133675D+01 -0.254068D+00  0.207512D+00 -0.820043D-01
                71            72            73            74            75 
      1   0.310402D+01  0.911117D+00  0.968957D+00 -0.530274D+00 -0.214626D+00
      2  -0.158552D+00 -0.126753D+01  0.129472D+01  0.148368D-01 -0.175886D-01
      3   0.415942D+00  0.299575D+00 -0.793794D-01 -0.672306D+00 -0.807196D+00
                76            77            78            79            80 
      1  -0.254070D+00  0.502466D+00 -0.403158D-01 -0.310604D-03  0.316186D+01
      2  -0.466984D+00  0.141487D+01  0.648571D+00 -0.376319D+01 -0.504235D+00
      3   0.224061D+00  0.457299D+00 -0.105917D+01 -0.113326D+01 -0.142526D+01
                81            82            83            84            85 
      1   0.654143D+01 -0.113213D+01 -0.206604D-01 -0.355736D+00 -0.614329D-01
      2   0.922960D+01 -0.146792D+00  0.327221D+00  0.514725D+00  0.294310D+00
      3   0.633111D+00  0.344707D+01  0.114587D+01  0.588990D+00  0.524140D+01
                86            87            88            89            90 
      1  -0.412569D+01 -0.387517D+01  0.351536D-02 -0.991474D+00 -0.613838D+00
      2   0.237080D+00 -0.101631D+01 -0.820032D+00 -0.948445D+00  0.622555D-01
      3   0.953473D+01  0.485816D+00  0.174774D+01  0.136775D+01  0.112953D+01
                91            92            93            94            95 
      1   0.904040D+00  0.703991D+00  0.953568D+00  0.693965D+00  0.105601D+01
      2  -0.589551D+00 -0.580226D+00 -0.145598D+01 -0.324363D+00 -0.659892D+00
      3   0.793694D+01  0.920323D+01 -0.289413D+00  0.119459D+02  0.153259D+02
                96            97            98            99           100 
      1  -0.112060D+01  0.849157D+00  0.111109D+01  0.113778D+00 -0.138452D+01
      2  -0.225687D+01 -0.200094D+01 -0.170365D+01  0.118911D+00 -0.541827D+00
      3   0.152985D+00 -0.741200D+00 -0.102791D+01 -0.917949D-01  0.884074D+00
               101           102           103           104           105 
      1  -0.679210D+00 -0.301613D+01 -0.589512D+00 -0.180878D+01 -0.224514D+01
      2   0.199594D+00  0.526593D+00  0.662586D-01 -0.119045D+00  0.429838D+00
      3   0.701909D+00  0.984019D+00  0.180323D+01  0.608466D+00  0.708119D+00
               106           107           108           109           110 
      1  -0.393972D+01 -0.185416D+01 -0.116219D+02  0.224496D+01  0.190831D+01
      2  -0.195426D+01  0.629476D+00  0.846344D+00  0.759807D+00 -0.285791D+00
      3   0.379572D+01  0.418167D-01  0.315779D+01  0.630150D+01  0.255502D+01
               111           112           113           114           115 
      1  -0.369854D+01  0.183444D+01  0.182622D+01 -0.265492D+01 -0.295286D+01
      2   0.987648D+00 -0.236417D-01  0.468055D-01  0.763726D+00 -0.851767D+00
      3  -0.207857D+01  0.598417D+01  0.275521D+01 -0.161880D+01 -0.522635D+01
               116           117           118           119           120 
      1  -0.166795D+01  0.305393D+01 -0.662876D-01 -0.319845D+00  0.164284D+00
      2   0.396727D+00 -0.798449D+00 -0.366265D+01  0.105847D+01  0.555915D+01
      3  -0.169988D+01  0.245311D+01  0.955167D+00 -0.228676D+01 -0.938320D+00
               121           122           123           124           125 
      1  -0.378992D-01  0.347127D+00 -0.787013D+00 -0.712195D+00  0.189524D+01
      2   0.227411D+01 -0.238869D+01 -0.525131D+01  0.583532D+01 -0.325021D+01
      3  -0.115841D+01  0.196126D+01  0.228614D+01 -0.152991D+01  0.452694D+01
               126 
      1  -0.770120D+00
      2  -0.142928D+02
      3   0.316542D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.182761D+02 -0.232997D+00 -0.148707D+01 -0.819074D+01  0.125423D+02
      2   0.851910D+01 -0.207135D+01 -0.199356D+01  0.364042D+01 -0.166212D+02
      3   0.975695D+01  0.230435D+01  0.348063D+01  0.455032D+01  0.407890D+01
      4  -0.163529D+01 -0.124932D+01 -0.157934D+00  0.787118D+01  0.635905D+01
      5   0.139808D+01 -0.324051D+00 -0.263556D+01 -0.108653D+01  0.203327D+01
      6  -0.379180D+01  0.341091D+01 -0.209009D+01  0.120879D+01 -0.362858D+01
                 6             7             8             9            10 
      1   0.941756D+00  0.622511D+01  0.875836D+00  0.132551D+02 -0.367810D+01
      2  -0.175830D+01 -0.329724D+01 -0.171070D+01  0.305624D+01  0.606471D+01
      3   0.816549D+00 -0.292787D+01  0.834860D+00 -0.163114D+02 -0.238661D+01
      4   0.215674D+01 -0.244969D+01  0.389066D+01 -0.150574D+01  0.610709D+00
      5  -0.131089D+01  0.360541D+01 -0.147261D+00 -0.139736D+02 -0.685226D-01
      6   0.198246D+01 -0.107331D+01  0.398583D+00  0.475674D+01  0.165806D+01
                11            12            13            14            15 
      1   0.183925D+01 -0.111884D+01  0.959771D+00  0.338679D+01  0.108391D+01
      2  -0.165969D+01 -0.206472D+00 -0.112220D+00 -0.766725D+01 -0.353683D+00
      3  -0.179557D+00  0.132531D+01 -0.847551D+00  0.428046D+01 -0.730224D+00
      4   0.386517D+01  0.638472D+00 -0.673872D+01  0.889198D+00 -0.619361D+00
      5   0.558123D+00  0.169016D+01 -0.590624D+00 -0.788317D-01  0.139397D+01
      6  -0.198354D+01 -0.778437D-01 -0.228407D+01  0.219312D+00 -0.310233D+01
                16            17            18            19            20 
      1  -0.552201D+01  0.170365D+01  0.509571D+01 -0.523673D+01  0.982615D+01
      2   0.249683D+00 -0.378499D+01  0.104514D+02  0.354952D+00 -0.102855D+02
      3   0.527233D+01  0.208134D+01 -0.155471D+02  0.488177D+01  0.459304D+00
      4  -0.157830D+01 -0.805418D+00  0.124253D+01  0.362871D+01 -0.118905D+02
      5  -0.208782D+01 -0.202489D+00  0.803409D+01  0.159488D+00 -0.178175D+01
      6   0.632425D+00  0.973935D+00  0.711765D+00 -0.606686D+00  0.870083D-01
                21            22            23            24            25 
      1  -0.102704D+01  0.180372D+01  0.692294D+01  0.183989D+00  0.671951D+00
      2  -0.234953D+01 -0.514883D+01 -0.184566D+02  0.945541D+00 -0.134613D+01
      3   0.337656D+01  0.334511D+01  0.115336D+02 -0.112953D+01  0.674178D+00
      4  -0.101406D+01 -0.231417D+02 -0.228279D+02 -0.645675D-01 -0.701782D+00
      5  -0.687996D+01 -0.222548D+01 -0.135919D+01 -0.126949D+01  0.223487D+01
      6   0.157493D+01 -0.707597D+00 -0.161794D+01 -0.139480D+02 -0.504469D+00
                26            27            28            29            30 
      1  -0.240251D+01 -0.496748D+01  0.418508D+02 -0.796752D+01 -0.970535D+00
      2   0.117294D+01 -0.637140D+01 -0.256798D+02  0.207999D+01  0.191325D+01
      3   0.122957D+01  0.113389D+02 -0.161711D+02  0.588753D+01 -0.942715D+00
      4   0.248261D+01 -0.235815D+01 -0.197452D+02  0.173923D+02  0.127220D+01
      5  -0.173850D+01  0.328140D+01 -0.245181D+01  0.573505D+00  0.145647D+02
      6   0.369311D+01 -0.585604D+00  0.836939D+00 -0.400536D+00 -0.486838D+01
                31            32            33            34            35 
      1   0.463421D+01  0.936358D+01 -0.106812D+01 -0.894576D+00  0.488017D+00
      2  -0.635676D+01 -0.250654D+01  0.303365D+00  0.168979D+01  0.132963D+00
      3   0.172254D+01 -0.685704D+01  0.764758D+00 -0.795212D+00 -0.620980D+00
      4   0.168084D+02 -0.536213D+01 -0.133939D+01  0.157588D+01 -0.174802D+01
      5  -0.515991D+00 -0.140473D+01 -0.347367D+01  0.136817D+02 -0.579216D+01
      6  -0.718041D+00  0.101182D+01  0.830218D+01 -0.195930D+01  0.539621D+01
                36            37            38            39            40 
      1   0.516353D+01  0.466440D+02  0.367939D+01  0.610958D+01  0.151399D+02
      2  -0.802403D+01 -0.239821D+02 -0.215923D+01 -0.267782D+01 -0.934828D+01
      3   0.286049D+01 -0.226619D+02 -0.152016D+01 -0.343177D+01 -0.579164D+01
      4  -0.545256D+01  0.370414D+00  0.119528D+02 -0.372474D+01  0.704515D+01
      5  -0.487544D+01  0.655968D+01 -0.277223D+01  0.445808D+01 -0.383124D+01
      6   0.137738D+01 -0.115605D+01 -0.467443D+00  0.105320D+01  0.165733D+01
                41            42            43            44            45 
      1   0.206646D+01 -0.228872D+01  0.881124D+01 -0.167085D+01 -0.392797D+01
      2   0.347274D+01  0.194701D+01 -0.692677D+01  0.120293D+01  0.411393D+00
      3  -0.553920D+01  0.341714D+00 -0.188447D+01  0.467920D+00  0.351658D+01
      4   0.603891D+01  0.301667D+01 -0.487135D+01  0.461859D+01  0.751049D+01
      5   0.314035D+01  0.974610D+01  0.578946D-01  0.709829D+01  0.205536D+02
      6  -0.147455D+01  0.133049D+01  0.165210D+01  0.217656D+01 -0.489669D+01
                46            47            48            49            50 
      1   0.128582D+02  0.168822D+01  0.988902D+00  0.168935D+01 -0.165915D+02
      2  -0.114876D+02 -0.530762D+01  0.183677D+01 -0.524469D+01  0.264980D+02
      3  -0.137058D+01  0.361940D+01 -0.282568D+01  0.355535D+01 -0.990648D+01
      4  -0.765951D+01 -0.529274D+01  0.283848D+01  0.106271D+01 -0.556440D+01
      5   0.162713D+01  0.155438D+01  0.590398D+00  0.105040D+01  0.688170D+00
      6   0.427846D+01  0.302959D+01 -0.896558D+01  0.311310D+01  0.415647D+01
                51            52            53            54            55 
      1  -0.567300D+00 -0.841930D+00  0.396769D+00  0.120906D+00  0.104932D+02
      2   0.328223D+01  0.325929D+01  0.393336D+01 -0.900151D+00 -0.131100D+01
      3  -0.271493D+01 -0.241736D+01 -0.433013D+01  0.779245D+00 -0.918221D+01
      4   0.149757D+01  0.376867D+01  0.209283D+01 -0.908218D+01  0.171604D+02
      5  -0.215520D+01  0.112274D+01 -0.360979D+01 -0.325471D+01  0.134137D+01
      6   0.241272D+01 -0.100623D+02 -0.138050D+01 -0.107830D+02  0.707664D+00
                56            57            58            59            60 
      1   0.520337D+01 -0.174750D+00  0.773709D+01 -0.218869D+02 -0.764098D+00
      2   0.315243D+01  0.517349D+00  0.295692D+01  0.423097D+02  0.260837D-01
      3  -0.835580D+01 -0.342600D+00 -0.106940D+02 -0.204228D+02  0.738015D+00
      4   0.221319D+02  0.826533D+00  0.251606D+02  0.461887D+02  0.118622D+01
      5   0.137462D+01  0.726346D+01  0.133237D+01  0.259731D+01  0.870213D+01
      6   0.756342D+00  0.385821D+01  0.120610D+01  0.167349D+01  0.170719D+02
                61            62            63            64            65 
      1   0.569088D+00 -0.111547D+00 -0.393523D+01  0.116139D+01  0.406610D-01
      2   0.446208D+00 -0.454507D+00  0.286159D+01 -0.388640D+01  0.214080D-01
      3  -0.101530D+01  0.566054D+00  0.107364D+01  0.272501D+01 -0.620690D-01
      4   0.193632D+00 -0.268592D+00  0.110576D+02 -0.274749D+00  0.138572D+01
      5   0.887249D+01  0.111735D+02  0.302028D+00 -0.218257D+01 -0.107338D+00
      6   0.387785D+01  0.141282D+02  0.551443D+00 -0.308215D+00  0.278828D+00
                66            67            68            69            70 
      1  -0.205253D+00 -0.252971D+00 -0.370491D+01 -0.554227D+00  0.103305D+01
      2   0.173265D+01  0.108579D+01  0.539316D+00 -0.105547D+01  0.260045D+01
      3  -0.152740D+01 -0.832818D+00  0.316559D+01  0.160969D+01 -0.363350D+01
      4  -0.381716D+00  0.277044D+01 -0.363910D+00 -0.625075D+00  0.702678D+00
      5   0.662151D+01  0.571889D+00 -0.863304D+00 -0.105662D+01  0.589705D+01
      6   0.219154D+00 -0.262304D+00  0.678203D+00  0.625519D+01 -0.785861D-01
                71            72            73            74            75 
      1   0.778164D+00 -0.160130D+02  0.836335D+00  0.512511D+00  0.396392D+01
      2  -0.896169D+00 -0.154899D+02 -0.330385D+01 -0.155548D+00 -0.752474D+00
      3   0.118005D+00  0.315029D+02  0.246751D+01 -0.356964D+00 -0.321145D+01
      4  -0.525278D+00 -0.688673D+00  0.576992D+00  0.613678D+00 -0.112697D+01
      5   0.243967D-01 -0.690342D+01  0.158116D+01 -0.207009D+00  0.468086D+01
      6   0.452668D+01 -0.175577D+01 -0.762900D+00 -0.714227D+00  0.493477D+00
                76            77            78            79            80 
      1   0.199920D+01 -0.421408D+01  0.235838D-01  0.526883D+01  0.159068D+01
      2  -0.140860D+01  0.195806D+01 -0.134668D+01 -0.269389D+01 -0.802083D+00
      3  -0.590606D+00  0.225602D+01  0.132309D+01 -0.257495D+01 -0.788598D+00
      4   0.292791D+00 -0.514781D+00  0.242145D+01 -0.205937D+01  0.281187D+01
      5  -0.585002D-01  0.217548D+01  0.154055D+01  0.501216D+01 -0.140060D+01
      6   0.175487D+00 -0.450596D+00  0.478542D+01 -0.187993D+00  0.582017D+01
                81            82            83            84            85 
      1  -0.181741D+02 -0.670193D+00 -0.388064D+01 -0.800542D+00 -0.503419D+01
      2  -0.116124D+02  0.308114D+01  0.281421D+01  0.725509D+00  0.302594D+01
      3   0.297865D+02 -0.241094D+01  0.106642D+01  0.750331D-01  0.200825D+01
      4  -0.217084D-01 -0.128825D+01  0.369616D+01  0.549660D+00  0.521462D+01
      5   0.179334D+02 -0.644158D+00 -0.501493D-01  0.730745D+00 -0.169518D+00
      6  -0.939398D+01  0.695802D+00 -0.283328D+00  0.546833D+00  0.885990D-01
                86            87            88            89            90 
      1  -0.178160D+02 -0.356244D+00 -0.247991D+01 -0.227207D+01 -0.448743D+01
      2   0.300308D+02  0.196359D+01  0.151119D+01  0.380097D+01  0.241979D+01
      3  -0.122148D+02 -0.160735D+01  0.968723D+00 -0.152890D+01  0.206764D+01
      4  -0.167398D+02 -0.899002D+00  0.949043D+00 -0.295965D+01 -0.190999D+01
      5  -0.800148D+00 -0.238318D+01  0.690376D+00 -0.239125D+01  0.532177D-01
      6   0.966985D-01  0.530086D+01  0.267046D+00  0.555285D+01  0.140509D+01
                91            92            93            94            95 
      1  -0.113979D+02 -0.236594D+01  0.165734D+00 -0.131187D+02 -0.635789D+01
      2   0.976019D+01 -0.309532D+00 -0.187519D+00  0.727411D+01  0.101222D+02
      3   0.163773D+01  0.267547D+01  0.217848D-01  0.584458D+01 -0.376436D+01
      4  -0.880926D+00 -0.987473D-01 -0.495933D+00  0.713554D+01 -0.156447D+02
      5   0.100151D+01  0.296739D+00 -0.172622D+01  0.113587D+01  0.172278D+00
      6  -0.500680D+00 -0.396434D-01 -0.206465D+01 -0.279488D+00  0.486724D+00
                96            97            98            99           100 
      1   0.315240D+00  0.117276D+01  0.502673D-01 -0.103796D+01 -0.486315D+00
      2  -0.302605D+00 -0.810150D+00 -0.151112D+00  0.236215D+00  0.785665D+00
      3  -0.126348D-01 -0.362612D+00  0.100845D+00  0.801743D+00 -0.299349D+00
      4  -0.619853D+00 -0.297659D+00  0.793442D-01 -0.237729D+01  0.241600D+01
      5  -0.400392D+01  0.228340D+01 -0.218258D+01  0.217166D-01  0.237975D+01
      6   0.165306D+01 -0.138845D+01  0.257001D+01  0.128065D+00  0.258290D+01
               101           102           103           104           105 
      1  -0.122384D+01 -0.842425D+00 -0.132365D-01 -0.320268D+01 -0.169277D+01
      2   0.229360D+01  0.415891D+00  0.744097D+00  0.403957D+01  0.238228D+01
      3  -0.106976D+01  0.426533D+00 -0.730860D+00 -0.836888D+00 -0.689510D+00
      4   0.442805D+01  0.279159D+01  0.399792D+01  0.255243D+01  0.235132D+01
      5   0.152149D+01  0.389919D+01  0.706930D+00  0.154395D+01  0.140043D+01
      6   0.308542D+01  0.528820D+01  0.239732D+01  0.323452D+01  0.608959D+01
               106           107           108           109           110 
      1   0.874843D-01 -0.551831D+01 -0.761823D+01  0.621596D+00 -0.375990D+01
      2  -0.103121D+01  0.503584D+01 -0.200989D+01  0.483498D+01  0.990035D+01
      3   0.943725D+00  0.482475D+00  0.962812D+01 -0.545658D+01 -0.614045D+01
      4   0.540639D+01  0.453871D+01  0.582240D+01  0.117642D+02  0.129765D+02
      5   0.404067D+01  0.296126D+01  0.704836D+01 -0.371548D+01 -0.300477D+01
      6   0.621206D+01  0.894288D+01  0.202149D+02 -0.596808D+01 -0.610303D+01
               111           112           113           114           115 
      1   0.506943D+00 -0.185561D+01 -0.572586D+01  0.159813D+01  0.125587D+01
      2  -0.259526D+01  0.655638D+01  0.128036D+02 -0.400692D+01 -0.276417D+01
      3   0.208831D+01 -0.470077D+01 -0.707772D+01  0.240879D+01  0.150830D+01
      4  -0.509615D+01  0.115151D+02  0.102756D+02 -0.414447D+01 -0.756221D+01
      5   0.415702D+01 -0.146220D+01 -0.265308D+01  0.172695D+01  0.406879D+01
      6   0.658578D+01 -0.480767D+01 -0.644188D+01  0.585106D+01  0.656993D+01
               116           117           118           119           120 
      1   0.366478D+01 -0.313958D+01  0.132100D+02 -0.323323D+01 -0.731181D+01
      2  -0.595920D+01  0.235171D+01 -0.771511D+01  0.162369D+01  0.472279D+01
      3   0.229442D+01  0.787867D+00 -0.549485D+01  0.160954D+01  0.258902D+01
      4  -0.644803D+01  0.606541D+01 -0.494940D+01  0.463662D+01  0.343408D+01
      5   0.329531D+01 -0.364431D+01 -0.863800D+01  0.272196D+01  0.111108D+02
      6   0.839039D+01 -0.747642D+01  0.233458D+01 -0.656350D+00 -0.155324D+01
               121           122           123           124           125 
      1  -0.556057D+01  0.218619D+01  0.290920D+01 -0.142554D+02  0.219144D+01
      2   0.246120D+01 -0.459223D+00 -0.155509D+01  0.102145D+02 -0.175592D+01
      3   0.309936D+01 -0.172696D+01 -0.135411D+01  0.404085D+01 -0.435522D+00
      4   0.695357D+01 -0.519208D+01 -0.597062D+01  0.692408D+01 -0.775963D+01
      5   0.514263D+01 -0.519154D+01 -0.885716D+01  0.164680D+02 -0.699401D+01
      6  -0.243993D+01  0.240982D+01  0.454064D+01 -0.386291D+01  0.335837D+01
               126 
      1   0.731550D+01
      2  -0.973070D+01
      3   0.241521D+01
      4  -0.830217D+01
      5  -0.262287D+02
      6   0.609966D+01
 Leave Link  716 at Mon Aug 16 21:25:03 2021, MaxMem=  5637144576 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.659477D+02  0.941127D-01 -0.165238D+01
      2   0.941127D-01  0.645475D+02  0.353515D+00
      3  -0.165238D+01  0.353515D+00  0.485253D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.701847D-01 -0.179352D+01 -0.156744D+01
      2   0.625601D-01 -0.576214D+00  0.130875D+02
      3   0.505594D+01  0.557555D+01  0.157682D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.232222D+02 -0.266214D+01 -0.194230D+01
      2  -0.180998D+02  0.292546D+01  0.542681D+00
      3  -0.512238D+01 -0.263324D+00  0.139962D+01
      4   0.423052D+01 -0.112042D+02 -0.168947D+01
      5  -0.266043D+01 -0.402648D+01  0.287418D+02
      6  -0.135486D+01 -0.407322D+00  0.641190D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.478666D+00 -0.171022D+01  0.783962D+00 -0.300753D+01  0.141061D+01
      2  -0.171022D+01  0.212148D+01 -0.213069D+00  0.141061D+01  0.419041D+01
      3   0.783962D+00 -0.213069D+00  0.142366D+01 -0.346250D+00  0.108703D+01
                 6             7             8             9            10 
      1  -0.346250D+00  0.179393D+01 -0.551779D+00  0.954354D+00  0.117620D+00
      2   0.108703D+01 -0.551779D+00  0.149831D+01  0.460512D-02  0.282462D+01
      3  -0.228805D+00  0.954354D+00  0.460512D-02 -0.703673D+01 -0.690256D+00
                11            12            13            14            15 
      1   0.282462D+01 -0.690256D+00  0.234808D+01 -0.286354D+00 -0.126756D-01
      2  -0.172171D+01  0.488640D+00 -0.286354D+00 -0.296658D+01 -0.619655D+00
      3   0.488640D+00 -0.594193D+00 -0.126756D-01 -0.619655D+00  0.694483D+00
                16            17            18            19            20 
      1  -0.824695D+00  0.968295D+00 -0.109312D+01 -0.179525D+01 -0.176393D+01
      2   0.968295D+00 -0.113979D+01  0.336183D+00 -0.176393D+01  0.161873D+01
      3  -0.109312D+01  0.336183D+00  0.673677D+01 -0.872815D-01  0.105948D+00
                21            22            23            24            25 
      1  -0.872815D-01  0.228331D+00  0.225160D+01  0.161868D+00 -0.719106D+00
      2   0.105948D+00  0.225160D+01  0.609691D+01  0.682473D-01  0.258864D+00
      3  -0.328208D+00  0.161868D+00  0.682473D-01  0.336578D+00 -0.127487D+00
                26            27            28            29            30 
      1   0.258864D+00 -0.127487D+00 -0.803981D+01  0.170233D+01  0.531320D+00
      2   0.489942D+00  0.236383D+00  0.170233D+01 -0.270806D+01 -0.200368D+00
      3   0.236383D+00 -0.413797D+00  0.531320D+00 -0.200368D+00 -0.110892D+01
                31            32            33            34            35 
      1  -0.160496D+01 -0.369521D+01  0.284895D-01  0.142127D+01 -0.192627D+00
      2  -0.369521D+01 -0.591412D+00  0.233969D+00 -0.192627D+00  0.206979D+00
      3   0.284895D-01  0.233969D+00  0.564428D+00 -0.176278D+01  0.127337D+01
                36            37            38            39            40 
      1  -0.176278D+01  0.702530D+01  0.582514D+00  0.107166D+01  0.275626D+01
      2   0.127337D+01  0.582514D+00  0.329163D+00 -0.355212D+00  0.687709D+00
      3   0.928770D+00  0.107166D+01 -0.355212D+00 -0.110194D+01 -0.620183D+00
                41            42            43            44            45 
      1   0.687709D+00 -0.620183D+00  0.251757D+01 -0.456282D+00 -0.601974D+00
      2   0.115426D+01  0.256111D+00 -0.456282D+00  0.896298D+00  0.121941D+01
      3   0.256111D+00  0.174177D+01 -0.601974D+00  0.121941D+01  0.393449D+01
                46            47            48            49            50 
      1  -0.210977D+01 -0.171603D+01  0.942938D+00 -0.936272D+00 -0.154869D+01
      2  -0.171603D+01 -0.177691D+01  0.135252D+00 -0.154869D+01  0.466541D+01
      3   0.942938D+00  0.135252D+00 -0.212928D+01  0.367518D+00  0.573748D+00
                51            52            53            54            55 
      1   0.367518D+00  0.111642D+01  0.403279D+00 -0.207315D+01 -0.203798D+01
      2   0.573748D+00  0.403279D+00  0.604371D+00 -0.863889D+00 -0.322640D+01
      3  -0.737600D+00 -0.207315D+01 -0.863889D+00 -0.360334D+01 -0.669970D-01
                56            57            58            59            60 
      1  -0.322640D+01 -0.669970D-01 -0.436218D+01 -0.262736D+01 -0.213831D-01
      2  -0.279288D+01 -0.235828D+00 -0.262736D+01 -0.131349D+02 -0.150508D+00
      3  -0.235828D+00 -0.312021D+00 -0.213831D-01 -0.150508D+00 -0.233884D+01
                61            62            63            64            65 
      1  -0.491301D-01 -0.512195D-01 -0.107851D+01  0.380395D+00 -0.497840D+00
      2  -0.512195D-01 -0.140516D-01 -0.318684D+01 -0.497840D+00  0.436919D+00
      3  -0.107851D+01 -0.318684D+01 -0.484077D-01 -0.109664D+01 -0.586369D-01
                66            67            68            69            70 
      1  -0.109664D+01 -0.109111D+01  0.344949D+00  0.133615D+00 -0.182637D+01
      2  -0.586369D-01  0.344949D+00  0.441294D+00 -0.105156D+01 -0.145849D+00
      3   0.101397D+01  0.133615D+00 -0.105156D+01 -0.519419D+00  0.865851D+00
                71            72            73            74            75 
      1  -0.145849D+00  0.865851D+00  0.317220D-01  0.239838D+00  0.924667D+00
      2  -0.151043D+01 -0.455765D-01  0.239838D+00 -0.302951D+00  0.825560D-01
      3  -0.455765D-01 -0.809711D+01  0.924667D+00  0.825560D-01 -0.661836D+00
                76            77            78            79            80 
      1   0.850833D+00 -0.129554D+00 -0.418542D-02  0.173171D+01 -0.206591D+00
      2  -0.129554D+00 -0.391276D+00  0.961484D+00 -0.206591D+00  0.140110D+01
      3  -0.418542D-02  0.961484D+00  0.619838D+00  0.121795D+00 -0.607069D+00
                81            82            83            84            85 
      1   0.121795D+00 -0.791659D+00 -0.838674D+00 -0.371752D+00 -0.156600D+01
      2  -0.607069D+00 -0.838674D+00 -0.415452D+00  0.681030D-01 -0.198357D-01
      3   0.817492D+01 -0.371752D+00  0.681030D-01 -0.208283D+00  0.142325D-01
                86            87            88            89            90 
      1  -0.198357D-01  0.142325D-01 -0.103396D+01  0.968079D-01 -0.986743D-01
      2  -0.784617D+01 -0.432897D+00  0.968079D-01 -0.123162D+01 -0.107847D+01
      3  -0.432897D+00 -0.115254D+01 -0.986743D-01 -0.107847D+01  0.458047D-01
                91            92            93            94            95 
      1   0.210757D+01  0.185367D+01 -0.256504D+00  0.445306D+01  0.222169D+00
      2   0.185367D+01  0.655983D+00  0.104751D+00  0.222169D+00  0.474981D+01
      3  -0.256504D+00  0.104751D+00 -0.337332D+00 -0.237493D+00  0.151366D+00
                96            97            98            99           100 
      1  -0.237493D+00 -0.413005D+00 -0.113128D+00 -0.577891D+00  0.427110D+00
      2   0.151366D+00 -0.113128D+00 -0.747902D-01  0.568007D+00  0.740691D+00
      3   0.902397D+00 -0.577891D+00  0.568007D+00  0.123499D+00  0.738009D+00
               101           102           103           104           105 
      1   0.740691D+00  0.738009D+00  0.685720D+00  0.400106D+00  0.432846D+00
      2   0.772992D+00  0.710778D+00  0.400106D+00  0.118816D+01  0.736639D+00
      3   0.710778D+00  0.123335D+01  0.432846D+00  0.736639D+00  0.818004D+00
               106           107           108           109           110 
      1   0.183457D+01  0.531279D+00  0.156505D+01  0.277001D+01  0.231217D+01
      2   0.531279D+00  0.245352D+01  0.185514D+01  0.231217D+01  0.303920D+01
      3   0.156505D+01  0.185514D+01  0.557927D+01 -0.107398D+01 -0.966701D+00
               111           112           113           114           115 
      1  -0.107398D+01  0.260195D+01  0.203859D+01 -0.792954D+00 -0.219457D+01
      2  -0.966701D+00  0.203859D+01  0.331843D+01 -0.949864D+00 -0.128399D+01
      3   0.141652D+01 -0.792954D+00 -0.949864D+00  0.112435D+01  0.133457D+01
               116           117           118           119           120 
      1  -0.128399D+01  0.133457D+01  0.239341D+01 -0.502728D+00 -0.134915D+01
      2  -0.214284D+01  0.143975D+01 -0.502728D+00  0.743512D+00  0.333786D+00
      3   0.143975D+01 -0.164818D+01 -0.134915D+01  0.333786D+00  0.169450D+01
               121           122           123           124           125 
      1  -0.135618D+01  0.951274D+00  0.896555D+00 -0.335463D+01  0.742940D+00
      2   0.951274D+00 -0.874309D+00 -0.864114D+00  0.742940D+00 -0.143700D+01
      3   0.896555D+00 -0.864114D+00 -0.182465D+01  0.257196D+01 -0.115099D+01
               126 
      1   0.257196D+01
      2  -0.115099D+01
      3  -0.467598D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.164280D+01  0.370725D+00  0.982082D+00 -0.149012D+01  0.682212D+01
      2   0.112796D+01 -0.469915D-01  0.634653D+00 -0.107688D+01  0.339803D+00
      3   0.153403D+01  0.167870D+01 -0.679754D+00  0.639538D+01 -0.731346D+01
                 6             7             8             9            10 
      1  -0.178551D+01  0.315086D+00  0.202493D+01 -0.557014D+01 -0.121564D+01
      2  -0.490069D+00 -0.331688D+01  0.653063D+00 -0.608156D+01  0.303147D+01
      3  -0.659255D+00 -0.193326D+01 -0.163925D+01 -0.543831D+00  0.171912D+01
                11            12            13            14            15 
      1   0.525794D+00 -0.739042D+00  0.618831D+00  0.805028D-01 -0.513765D+00
      2  -0.888904D+00  0.330913D+01  0.160683D+01 -0.166810D+01  0.105684D+01
      3  -0.567537D+01  0.622825D+00 -0.114220D+01  0.954523D+00  0.737678D+00
                16            17            18            19            20 
      1  -0.123030D+01  0.443359D+01  0.143326D+00  0.714657D+00  0.983037D+00
      2  -0.296584D+01  0.182381D+00  0.896424D+00 -0.516733D+01  0.799991D-01
      3  -0.263138D+00  0.857294D+00  0.655819D+00 -0.564221D+01 -0.173547D+00
                21            22            23            24            25 
      1   0.232670D+00  0.162644D+01 -0.310073D+00  0.914791D+01 -0.216727D+00
      2  -0.536413D+01 -0.601042D+00  0.125282D+01 -0.171430D+01 -0.175397D+02
      3  -0.223985D+00 -0.522617D+00  0.941401D+01 -0.148463D+01  0.185042D+01
                26            27            28            29            30 
      1   0.970175D+01  0.627733D+00 -0.916854D+00 -0.948548D+00  0.286278D+01
      2  -0.160935D+01  0.369572D+01  0.546691D+00  0.281649D+00  0.775777D+01
      3  -0.209206D+01  0.954284D+00 -0.551170D+01 -0.147924D+02  0.156391D+00
                31            32            33            34            35 
      1  -0.519055D+00 -0.740385D+00 -0.403211D+01  0.764319D+00  0.210451D+01
      2   0.745851D+00 -0.215784D+00 -0.884277D+00  0.498402D+01 -0.963995D+00
      3  -0.104556D+02 -0.803891D+01  0.504118D+00  0.401057D+00  0.207347D+01
                36            37            38            39            40 
      1  -0.688112D+00 -0.255510D+00 -0.218215D+00  0.313502D+00  0.145854D+01
      2  -0.257175D+01  0.174737D+01 -0.163783D+01  0.271339D+01 -0.151578D+01
      3   0.180441D+01 -0.656305D+01 -0.784910D+01  0.176601D+01  0.761835D+00
                41            42            43            44            45 
      1  -0.936885D+00 -0.246950D+01  0.185807D+01  0.145840D+01  0.980351D+00
      2   0.113734D+01  0.569081D+01 -0.685047D+01  0.356578D+01  0.116640D+02
      3  -0.532181D+01 -0.188416D+01  0.154868D+01 -0.282775D+01 -0.443928D+01
                46            47            48            49            50 
      1  -0.207914D+01 -0.112042D+01  0.515579D+01 -0.198309D+01 -0.343289D+01
      2  -0.253186D-01  0.149970D+01  0.354510D+01  0.626733D+00  0.778551D+00
      3  -0.508966D+01 -0.104453D+02  0.118980D+01  0.245295D+01 -0.186414D+01
                51            52            53            54            55 
      1  -0.271643D+01  0.556651D+01  0.689821D+01  0.690126D+01  0.274348D+00
      2  -0.787440D+00 -0.342556D+01 -0.811930D+00  0.277932D+00  0.334783D+00
      3   0.615608D+00  0.268944D+01  0.112019D+01 -0.476874D+01 -0.178805D+00
                56            57            58            59            60 
      1   0.139758D+00 -0.287289D+01  0.339845D-01  0.102909D+01 -0.108302D+02
      2   0.209824D+00  0.469267D+01 -0.129720D+01 -0.519538D+00  0.441025D+01
      3  -0.492273D+01 -0.272044D+00  0.101075D+02 -0.181719D+02  0.181981D+00
                61            62            63            64            65 
      1  -0.416034D+00  0.893989D+00  0.167906D+00  0.300319D+00 -0.794441D+00
      2   0.231940D+01  0.447583D+01 -0.953029D+00  0.464592D+00 -0.547766D-01
      3  -0.112394D+01  0.308714D+00 -0.440940D+01  0.239897D+00 -0.741242D+00
                66            67            68            69            70 
      1   0.232289D+00 -0.504958D+00 -0.485600D+00 -0.339709D+00  0.158486D+00
      2   0.859355D+00 -0.308191D+00  0.363785D+00 -0.599462D+00 -0.262438D+01
      3  -0.195475D+00  0.133675D+01 -0.254068D+00  0.207512D+00 -0.820043D-01
                71            72            73            74            75 
      1   0.310402D+01  0.911117D+00  0.968957D+00 -0.530274D+00 -0.214626D+00
      2  -0.158552D+00 -0.126753D+01  0.129472D+01  0.148368D-01 -0.175886D-01
      3   0.415942D+00  0.299575D+00 -0.793794D-01 -0.672306D+00 -0.807196D+00
                76            77            78            79            80 
      1  -0.254070D+00  0.502466D+00 -0.403158D-01 -0.310604D-03  0.316186D+01
      2  -0.466984D+00  0.141487D+01  0.648571D+00 -0.376319D+01 -0.504235D+00
      3   0.224061D+00  0.457299D+00 -0.105917D+01 -0.113326D+01 -0.142526D+01
                81            82            83            84            85 
      1   0.654143D+01 -0.113213D+01 -0.206604D-01 -0.355736D+00 -0.614329D-01
      2   0.922960D+01 -0.146792D+00  0.327221D+00  0.514725D+00  0.294310D+00
      3   0.633111D+00  0.344707D+01  0.114587D+01  0.588990D+00  0.524140D+01
                86            87            88            89            90 
      1  -0.412569D+01 -0.387517D+01  0.351536D-02 -0.991474D+00 -0.613838D+00
      2   0.237080D+00 -0.101631D+01 -0.820032D+00 -0.948445D+00  0.622555D-01
      3   0.953473D+01  0.485816D+00  0.174774D+01  0.136775D+01  0.112953D+01
                91            92            93            94            95 
      1   0.904040D+00  0.703991D+00  0.953568D+00  0.693965D+00  0.105601D+01
      2  -0.589551D+00 -0.580226D+00 -0.145598D+01 -0.324363D+00 -0.659892D+00
      3   0.793694D+01  0.920323D+01 -0.289413D+00  0.119459D+02  0.153259D+02
                96            97            98            99           100 
      1  -0.112060D+01  0.849157D+00  0.111109D+01  0.113778D+00 -0.138452D+01
      2  -0.225687D+01 -0.200094D+01 -0.170365D+01  0.118911D+00 -0.541827D+00
      3   0.152985D+00 -0.741200D+00 -0.102791D+01 -0.917949D-01  0.884074D+00
               101           102           103           104           105 
      1  -0.679210D+00 -0.301613D+01 -0.589512D+00 -0.180878D+01 -0.224514D+01
      2   0.199594D+00  0.526593D+00  0.662586D-01 -0.119045D+00  0.429838D+00
      3   0.701909D+00  0.984019D+00  0.180323D+01  0.608466D+00  0.708119D+00
               106           107           108           109           110 
      1  -0.393972D+01 -0.185416D+01 -0.116219D+02  0.224496D+01  0.190831D+01
      2  -0.195426D+01  0.629476D+00  0.846344D+00  0.759807D+00 -0.285791D+00
      3   0.379572D+01  0.418167D-01  0.315779D+01  0.630150D+01  0.255502D+01
               111           112           113           114           115 
      1  -0.369854D+01  0.183444D+01  0.182622D+01 -0.265492D+01 -0.295286D+01
      2   0.987648D+00 -0.236417D-01  0.468055D-01  0.763726D+00 -0.851767D+00
      3  -0.207857D+01  0.598417D+01  0.275521D+01 -0.161880D+01 -0.522635D+01
               116           117           118           119           120 
      1  -0.166795D+01  0.305393D+01 -0.662876D-01 -0.319845D+00  0.164284D+00
      2   0.396727D+00 -0.798449D+00 -0.366265D+01  0.105847D+01  0.555915D+01
      3  -0.169988D+01  0.245311D+01  0.955167D+00 -0.228676D+01 -0.938320D+00
               121           122           123           124           125 
      1  -0.378992D-01  0.347127D+00 -0.787013D+00 -0.712195D+00  0.189524D+01
      2   0.227411D+01 -0.238869D+01 -0.525131D+01  0.583532D+01 -0.325021D+01
      3  -0.115841D+01  0.196126D+01  0.228614D+01 -0.152991D+01  0.452694D+01
               126 
      1  -0.770120D+00
      2  -0.142928D+02
      3   0.316542D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.182761D+02 -0.232997D+00 -0.148707D+01 -0.819074D+01  0.125423D+02
      2   0.851910D+01 -0.207135D+01 -0.199356D+01  0.364042D+01 -0.166212D+02
      3   0.975695D+01  0.230435D+01  0.348063D+01  0.455032D+01  0.407890D+01
      4  -0.163529D+01 -0.124932D+01 -0.157934D+00  0.787118D+01  0.635905D+01
      5   0.139808D+01 -0.324051D+00 -0.263556D+01 -0.108653D+01  0.203327D+01
      6  -0.379180D+01  0.341091D+01 -0.209009D+01  0.120879D+01 -0.362858D+01
                 6             7             8             9            10 
      1   0.941756D+00  0.622511D+01  0.875836D+00  0.132551D+02 -0.367810D+01
      2  -0.175830D+01 -0.329724D+01 -0.171070D+01  0.305624D+01  0.606471D+01
      3   0.816549D+00 -0.292787D+01  0.834860D+00 -0.163114D+02 -0.238661D+01
      4   0.215674D+01 -0.244969D+01  0.389066D+01 -0.150574D+01  0.610709D+00
      5  -0.131089D+01  0.360541D+01 -0.147261D+00 -0.139736D+02 -0.685226D-01
      6   0.198246D+01 -0.107331D+01  0.398583D+00  0.475674D+01  0.165806D+01
                11            12            13            14            15 
      1   0.183925D+01 -0.111884D+01  0.959771D+00  0.338679D+01  0.108391D+01
      2  -0.165969D+01 -0.206472D+00 -0.112220D+00 -0.766725D+01 -0.353683D+00
      3  -0.179557D+00  0.132531D+01 -0.847551D+00  0.428046D+01 -0.730224D+00
      4   0.386517D+01  0.638472D+00 -0.673872D+01  0.889198D+00 -0.619361D+00
      5   0.558123D+00  0.169016D+01 -0.590624D+00 -0.788317D-01  0.139397D+01
      6  -0.198354D+01 -0.778437D-01 -0.228407D+01  0.219312D+00 -0.310233D+01
                16            17            18            19            20 
      1  -0.552201D+01  0.170365D+01  0.509571D+01 -0.523673D+01  0.982615D+01
      2   0.249683D+00 -0.378499D+01  0.104514D+02  0.354952D+00 -0.102855D+02
      3   0.527233D+01  0.208134D+01 -0.155471D+02  0.488177D+01  0.459304D+00
      4  -0.157830D+01 -0.805418D+00  0.124253D+01  0.362871D+01 -0.118905D+02
      5  -0.208782D+01 -0.202489D+00  0.803409D+01  0.159488D+00 -0.178175D+01
      6   0.632425D+00  0.973935D+00  0.711765D+00 -0.606686D+00  0.870083D-01
                21            22            23            24            25 
      1  -0.102704D+01  0.180372D+01  0.692294D+01  0.183989D+00  0.671951D+00
      2  -0.234953D+01 -0.514883D+01 -0.184566D+02  0.945541D+00 -0.134613D+01
      3   0.337656D+01  0.334511D+01  0.115336D+02 -0.112953D+01  0.674178D+00
      4  -0.101406D+01 -0.231417D+02 -0.228279D+02 -0.645675D-01 -0.701782D+00
      5  -0.687996D+01 -0.222548D+01 -0.135919D+01 -0.126949D+01  0.223487D+01
      6   0.157493D+01 -0.707597D+00 -0.161794D+01 -0.139480D+02 -0.504469D+00
                26            27            28            29            30 
      1  -0.240251D+01 -0.496748D+01  0.418508D+02 -0.796752D+01 -0.970535D+00
      2   0.117294D+01 -0.637140D+01 -0.256798D+02  0.207999D+01  0.191325D+01
      3   0.122957D+01  0.113389D+02 -0.161711D+02  0.588753D+01 -0.942715D+00
      4   0.248261D+01 -0.235815D+01 -0.197452D+02  0.173923D+02  0.127220D+01
      5  -0.173850D+01  0.328140D+01 -0.245181D+01  0.573505D+00  0.145647D+02
      6   0.369311D+01 -0.585604D+00  0.836939D+00 -0.400536D+00 -0.486838D+01
                31            32            33            34            35 
      1   0.463421D+01  0.936358D+01 -0.106812D+01 -0.894576D+00  0.488017D+00
      2  -0.635676D+01 -0.250654D+01  0.303365D+00  0.168979D+01  0.132963D+00
      3   0.172254D+01 -0.685704D+01  0.764758D+00 -0.795212D+00 -0.620980D+00
      4   0.168084D+02 -0.536213D+01 -0.133939D+01  0.157588D+01 -0.174802D+01
      5  -0.515991D+00 -0.140473D+01 -0.347367D+01  0.136817D+02 -0.579216D+01
      6  -0.718041D+00  0.101182D+01  0.830218D+01 -0.195930D+01  0.539621D+01
                36            37            38            39            40 
      1   0.516353D+01  0.466440D+02  0.367939D+01  0.610958D+01  0.151399D+02
      2  -0.802403D+01 -0.239821D+02 -0.215923D+01 -0.267782D+01 -0.934828D+01
      3   0.286049D+01 -0.226619D+02 -0.152016D+01 -0.343177D+01 -0.579164D+01
      4  -0.545256D+01  0.370414D+00  0.119528D+02 -0.372474D+01  0.704515D+01
      5  -0.487544D+01  0.655968D+01 -0.277223D+01  0.445808D+01 -0.383124D+01
      6   0.137738D+01 -0.115605D+01 -0.467443D+00  0.105320D+01  0.165733D+01
                41            42            43            44            45 
      1   0.206646D+01 -0.228872D+01  0.881124D+01 -0.167085D+01 -0.392797D+01
      2   0.347274D+01  0.194701D+01 -0.692677D+01  0.120293D+01  0.411393D+00
      3  -0.553920D+01  0.341714D+00 -0.188447D+01  0.467920D+00  0.351658D+01
      4   0.603891D+01  0.301667D+01 -0.487135D+01  0.461859D+01  0.751049D+01
      5   0.314035D+01  0.974610D+01  0.578946D-01  0.709829D+01  0.205536D+02
      6  -0.147455D+01  0.133049D+01  0.165210D+01  0.217656D+01 -0.489669D+01
                46            47            48            49            50 
      1   0.128582D+02  0.168822D+01  0.988902D+00  0.168935D+01 -0.165915D+02
      2  -0.114876D+02 -0.530762D+01  0.183677D+01 -0.524469D+01  0.264980D+02
      3  -0.137058D+01  0.361940D+01 -0.282568D+01  0.355535D+01 -0.990648D+01
      4  -0.765951D+01 -0.529274D+01  0.283848D+01  0.106271D+01 -0.556440D+01
      5   0.162713D+01  0.155438D+01  0.590398D+00  0.105040D+01  0.688170D+00
      6   0.427846D+01  0.302959D+01 -0.896558D+01  0.311310D+01  0.415647D+01
                51            52            53            54            55 
      1  -0.567300D+00 -0.841930D+00  0.396769D+00  0.120906D+00  0.104932D+02
      2   0.328223D+01  0.325929D+01  0.393336D+01 -0.900151D+00 -0.131100D+01
      3  -0.271493D+01 -0.241736D+01 -0.433013D+01  0.779245D+00 -0.918221D+01
      4   0.149757D+01  0.376867D+01  0.209283D+01 -0.908218D+01  0.171604D+02
      5  -0.215520D+01  0.112274D+01 -0.360979D+01 -0.325471D+01  0.134137D+01
      6   0.241272D+01 -0.100623D+02 -0.138050D+01 -0.107830D+02  0.707664D+00
                56            57            58            59            60 
      1   0.520337D+01 -0.174750D+00  0.773709D+01 -0.218869D+02 -0.764098D+00
      2   0.315243D+01  0.517349D+00  0.295692D+01  0.423097D+02  0.260837D-01
      3  -0.835580D+01 -0.342600D+00 -0.106940D+02 -0.204228D+02  0.738015D+00
      4   0.221319D+02  0.826533D+00  0.251606D+02  0.461887D+02  0.118622D+01
      5   0.137462D+01  0.726346D+01  0.133237D+01  0.259731D+01  0.870213D+01
      6   0.756342D+00  0.385821D+01  0.120610D+01  0.167349D+01  0.170719D+02
                61            62            63            64            65 
      1   0.569088D+00 -0.111547D+00 -0.393523D+01  0.116139D+01  0.406610D-01
      2   0.446208D+00 -0.454507D+00  0.286159D+01 -0.388640D+01  0.214080D-01
      3  -0.101530D+01  0.566054D+00  0.107364D+01  0.272501D+01 -0.620690D-01
      4   0.193632D+00 -0.268592D+00  0.110576D+02 -0.274749D+00  0.138572D+01
      5   0.887249D+01  0.111735D+02  0.302028D+00 -0.218257D+01 -0.107338D+00
      6   0.387785D+01  0.141282D+02  0.551443D+00 -0.308215D+00  0.278828D+00
                66            67            68            69            70 
      1  -0.205253D+00 -0.252971D+00 -0.370491D+01 -0.554227D+00  0.103305D+01
      2   0.173265D+01  0.108579D+01  0.539316D+00 -0.105547D+01  0.260045D+01
      3  -0.152740D+01 -0.832818D+00  0.316559D+01  0.160969D+01 -0.363350D+01
      4  -0.381716D+00  0.277044D+01 -0.363910D+00 -0.625075D+00  0.702678D+00
      5   0.662151D+01  0.571889D+00 -0.863304D+00 -0.105662D+01  0.589705D+01
      6   0.219154D+00 -0.262304D+00  0.678203D+00  0.625519D+01 -0.785861D-01
                71            72            73            74            75 
      1   0.778164D+00 -0.160130D+02  0.836335D+00  0.512511D+00  0.396392D+01
      2  -0.896169D+00 -0.154899D+02 -0.330385D+01 -0.155548D+00 -0.752474D+00
      3   0.118005D+00  0.315029D+02  0.246751D+01 -0.356964D+00 -0.321145D+01
      4  -0.525278D+00 -0.688673D+00  0.576992D+00  0.613678D+00 -0.112697D+01
      5   0.243967D-01 -0.690342D+01  0.158116D+01 -0.207009D+00  0.468086D+01
      6   0.452668D+01 -0.175577D+01 -0.762900D+00 -0.714227D+00  0.493477D+00
                76            77            78            79            80 
      1   0.199920D+01 -0.421408D+01  0.235838D-01  0.526883D+01  0.159068D+01
      2  -0.140860D+01  0.195806D+01 -0.134668D+01 -0.269389D+01 -0.802083D+00
      3  -0.590606D+00  0.225602D+01  0.132309D+01 -0.257495D+01 -0.788598D+00
      4   0.292791D+00 -0.514781D+00  0.242145D+01 -0.205937D+01  0.281187D+01
      5  -0.585002D-01  0.217548D+01  0.154055D+01  0.501216D+01 -0.140060D+01
      6   0.175487D+00 -0.450596D+00  0.478542D+01 -0.187993D+00  0.582017D+01
                81            82            83            84            85 
      1  -0.181741D+02 -0.670193D+00 -0.388064D+01 -0.800542D+00 -0.503419D+01
      2  -0.116124D+02  0.308114D+01  0.281421D+01  0.725509D+00  0.302594D+01
      3   0.297865D+02 -0.241094D+01  0.106642D+01  0.750331D-01  0.200825D+01
      4  -0.217084D-01 -0.128825D+01  0.369616D+01  0.549660D+00  0.521462D+01
      5   0.179334D+02 -0.644158D+00 -0.501493D-01  0.730745D+00 -0.169518D+00
      6  -0.939398D+01  0.695802D+00 -0.283328D+00  0.546833D+00  0.885990D-01
                86            87            88            89            90 
      1  -0.178160D+02 -0.356244D+00 -0.247991D+01 -0.227207D+01 -0.448743D+01
      2   0.300308D+02  0.196359D+01  0.151119D+01  0.380097D+01  0.241979D+01
      3  -0.122148D+02 -0.160735D+01  0.968723D+00 -0.152890D+01  0.206764D+01
      4  -0.167398D+02 -0.899002D+00  0.949043D+00 -0.295965D+01 -0.190999D+01
      5  -0.800148D+00 -0.238318D+01  0.690376D+00 -0.239125D+01  0.532177D-01
      6   0.966985D-01  0.530086D+01  0.267046D+00  0.555285D+01  0.140509D+01
                91            92            93            94            95 
      1  -0.113979D+02 -0.236594D+01  0.165734D+00 -0.131187D+02 -0.635789D+01
      2   0.976019D+01 -0.309532D+00 -0.187519D+00  0.727411D+01  0.101222D+02
      3   0.163773D+01  0.267547D+01  0.217848D-01  0.584458D+01 -0.376436D+01
      4  -0.880926D+00 -0.987473D-01 -0.495933D+00  0.713554D+01 -0.156447D+02
      5   0.100151D+01  0.296739D+00 -0.172622D+01  0.113587D+01  0.172278D+00
      6  -0.500680D+00 -0.396434D-01 -0.206465D+01 -0.279488D+00  0.486724D+00
                96            97            98            99           100 
      1   0.315240D+00  0.117276D+01  0.502673D-01 -0.103796D+01 -0.486315D+00
      2  -0.302605D+00 -0.810150D+00 -0.151112D+00  0.236215D+00  0.785665D+00
      3  -0.126348D-01 -0.362612D+00  0.100845D+00  0.801743D+00 -0.299349D+00
      4  -0.619853D+00 -0.297659D+00  0.793442D-01 -0.237729D+01  0.241600D+01
      5  -0.400392D+01  0.228340D+01 -0.218258D+01  0.217166D-01  0.237975D+01
      6   0.165306D+01 -0.138845D+01  0.257001D+01  0.128065D+00  0.258290D+01
               101           102           103           104           105 
      1  -0.122384D+01 -0.842425D+00 -0.132365D-01 -0.320268D+01 -0.169277D+01
      2   0.229360D+01  0.415891D+00  0.744097D+00  0.403957D+01  0.238228D+01
      3  -0.106976D+01  0.426533D+00 -0.730860D+00 -0.836888D+00 -0.689510D+00
      4   0.442805D+01  0.279159D+01  0.399792D+01  0.255243D+01  0.235132D+01
      5   0.152149D+01  0.389919D+01  0.706930D+00  0.154395D+01  0.140043D+01
      6   0.308542D+01  0.528820D+01  0.239732D+01  0.323452D+01  0.608959D+01
               106           107           108           109           110 
      1   0.874843D-01 -0.551831D+01 -0.761823D+01  0.621596D+00 -0.375990D+01
      2  -0.103121D+01  0.503584D+01 -0.200989D+01  0.483498D+01  0.990035D+01
      3   0.943725D+00  0.482475D+00  0.962812D+01 -0.545658D+01 -0.614045D+01
      4   0.540639D+01  0.453871D+01  0.582240D+01  0.117642D+02  0.129765D+02
      5   0.404067D+01  0.296126D+01  0.704836D+01 -0.371548D+01 -0.300477D+01
      6   0.621206D+01  0.894288D+01  0.202149D+02 -0.596808D+01 -0.610303D+01
               111           112           113           114           115 
      1   0.506943D+00 -0.185561D+01 -0.572586D+01  0.159813D+01  0.125587D+01
      2  -0.259526D+01  0.655638D+01  0.128036D+02 -0.400692D+01 -0.276417D+01
      3   0.208831D+01 -0.470077D+01 -0.707772D+01  0.240879D+01  0.150830D+01
      4  -0.509615D+01  0.115151D+02  0.102756D+02 -0.414447D+01 -0.756221D+01
      5   0.415702D+01 -0.146220D+01 -0.265308D+01  0.172695D+01  0.406879D+01
      6   0.658578D+01 -0.480767D+01 -0.644188D+01  0.585106D+01  0.656993D+01
               116           117           118           119           120 
      1   0.366478D+01 -0.313958D+01  0.132100D+02 -0.323323D+01 -0.731181D+01
      2  -0.595920D+01  0.235171D+01 -0.771511D+01  0.162369D+01  0.472279D+01
      3   0.229442D+01  0.787867D+00 -0.549485D+01  0.160954D+01  0.258902D+01
      4  -0.644803D+01  0.606541D+01 -0.494940D+01  0.463662D+01  0.343408D+01
      5   0.329531D+01 -0.364431D+01 -0.863800D+01  0.272196D+01  0.111108D+02
      6   0.839039D+01 -0.747642D+01  0.233458D+01 -0.656350D+00 -0.155324D+01
               121           122           123           124           125 
      1  -0.556057D+01  0.218619D+01  0.290920D+01 -0.142554D+02  0.219144D+01
      2   0.246120D+01 -0.459223D+00 -0.155509D+01  0.102145D+02 -0.175592D+01
      3   0.309936D+01 -0.172696D+01 -0.135411D+01  0.404085D+01 -0.435522D+00
      4   0.695357D+01 -0.519208D+01 -0.597062D+01  0.692408D+01 -0.775963D+01
      5   0.514263D+01 -0.519154D+01 -0.885716D+01  0.164680D+02 -0.699401D+01
      6  -0.243993D+01  0.240982D+01  0.454064D+01 -0.386291D+01  0.335837D+01
               126 
      1   0.731550D+01
      2  -0.973070D+01
      3   0.241521D+01
      4  -0.830217D+01
      5  -0.262287D+02
      6   0.609966D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.168312D+01      0.427807D+01      0.142701D+02
   x          0.130989D+01      0.332940D+01      0.111057D+02
   y          0.957810D+00      0.243451D+01      0.812065D+01
   z         -0.446869D+00     -0.113583D+01     -0.378871D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.544983D+02      0.807582D+01      0.898556D+01
   aniso      0.155092D+02      0.229822D+01      0.255711D+01
   xx         0.600136D+02      0.889309D+01      0.989490D+01
   yx         0.298583D+00      0.442454D-01      0.492297D-01
   yy         0.590340D+02      0.874793D+01      0.973338D+01
   zx        -0.192291D+01     -0.284946D+00     -0.317046D+00
   zy         0.621864D+00      0.921507D-01      0.102532D+00
   zz         0.444475D+02      0.658644D+01      0.732840D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.596735D+02      0.884269D+01      0.983882D+01
   aniso      0.170205D+02      0.252218D+01      0.280631D+01
   xx         0.659477D+02      0.977243D+01      0.108733D+02
   yx         0.941127D-01      0.139461D-01      0.155171D-01
   yy         0.645475D+02      0.956495D+01      0.106424D+02
   zx        -0.165238D+01     -0.244857D+00     -0.272440D+00
   zy         0.353515D+00      0.523855D-01      0.582868D-01
   zz         0.485253D+02      0.719070D+01      0.800073D+01

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.15937944          1.40508785          0.96137003
     6         -0.45369107          0.20777921          0.67238291
     6         -1.07434978         -0.24778926         -2.13047687
     8         -2.29603885         -2.41541495         -2.56178069
     8          2.69255891          1.99848330          3.52867515
     7         -0.80916508         -2.12887249          2.11801430
     8         -0.54750332          1.23109768         -3.77022085
     1         -1.87095801          1.56654239          1.32456829
     1          3.59973026          0.04785117          0.37014690
     1          2.30956209          3.05172650         -0.26887256
     1         -2.44644943         -3.23240563         -0.89658140
     1          0.83420529         -3.11326653          2.21789674
     1         -1.32737517         -1.75133778          3.91802093
     1          1.98526579          3.62921337          3.91567461

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.168312D+01      0.427807D+01      0.142701D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.168312D+01      0.427807D+01      0.142701D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.544983D+02      0.807582D+01      0.898556D+01
   aniso      0.155092D+02      0.229822D+01      0.255711D+01
   xx         0.484574D+02      0.718065D+01      0.798955D+01
   yx         0.629689D+01      0.933103D+00      0.103822D+01
   yy         0.555673D+02      0.823423D+01      0.916182D+01
   zx         0.285343D+01      0.422835D+00      0.470467D+00
   zy        -0.109872D+01     -0.162813D+00     -0.181154D+00
   zz         0.594703D+02      0.881259D+01      0.980532D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.596735D+02      0.884269D+01      0.983882D+01
   aniso      0.170205D+02      0.252218D+01      0.280631D+01
   xx         0.536560D+02      0.795100D+01      0.884668D+01
   yx         0.720923D+01      0.106830D+01      0.118864D+01
   yy         0.604389D+02      0.895612D+01      0.996502D+01
   zx         0.329840D+01      0.488772D+00      0.543833D+00
   zy        -0.123447D+01     -0.182930D+00     -0.203537D+00
   zz         0.649255D+02      0.962097D+01      0.107048D+02

 ----------------------------------------------------------------------

 Test job not archived.
 1\1\GINC-CPN-U24-18\Freq\RLC-PBEPBE\Gen\C3H7N1O3\PIERPA\16-Aug-2021\0\
 \#P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight)
  Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=03600000
 00,3/108=0360000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-
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            THE IRISH PIG
 'TWAS AN EVENING IN NOVEMBER,
 AS I VERY WELL REMEMBER
 I WAS STROLLING DOWN THE STREET IN DRUNKEN PRIDE,
 BUT MY KNEES WERE ALL A'FLUTTER
 SO I LANDED IN THE GUTTER,
 AND A PIG CAME UP AND LAY DOWN BY MY SIDE.

 YES, I LAY THERE IN THE GUTTER
 THINKING THOUGHTS I COULD NOT UTTER
 WHEN A COLLEEN PASSING BY DID SOFTLY SAY,
 'YE CAN TELL A MAN THAT BOOZES
 BY THE COMPANY THAT HE CHOOSES.' -
 AT THAT, THE PIG GOT UP AND WALKED AWAY!
     -- THE ECONOMIST, AUGUST 23, 1986
 Job cpu time:       0 days  1 hours 16 minutes 31.9 seconds.
 Elapsed time:       0 days  0 hours  9 minutes 36.1 seconds.
 File lengths (MBytes):  RWF=    210 Int=      0 D2E=      0 Chk=      6 Scr=      2
 Normal termination of Gaussian 16 at Mon Aug 16 21:25:03 2021.
